Structure & Deep Data of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate (C3H4Cl2F2NO3P)
Identification of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate Chemical Compound
Chemical Formula | C3H4Cl2F2NO3P |
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Molecular Weight | 241.945328 g/mol |
IUPAC Name | [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate |
SMILES String | FC(Cl)=NOP(F)(=O)OCCCl |
InChI | InChI=1S/C3H4Cl2F2NO3P/c4-1-2-10-12(7,9)11-8-3(5)6/h1-2H2 |
InChIKey | SMQFEAVRLRGYDY-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate molecule contains a total of 15 bond(s). There are 11 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), and 1 phosphonate(s) (thio-). Images of the chemical structure of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate are given below:
The 2D chemical structure image of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is provided here.
The [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The SMILES string of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is FC(Cl)=NOP(F)(=O)OCCCl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate.
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Structure Data File (SDF/MOL File) of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The structure data file (SDF/MOL File) of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is available for download in the SDF page of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate, which provides the information about the atoms, bonds, connectivity and coordinates of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate. The [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The molecular formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is available in chemical formula page of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The molecular weight of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is available in molecular weight page of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate including the various registry numbers, if available:
None available.
[chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
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C3H4Cl2F2NO3P |
How many atoms and what are the elements included the [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate molecule? |
16 atom(s) - 4 Hydrogen atom(s), 3 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), 1 Phosphorous atom(s), 2 Fluorine atom(s), and 2 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate structure? |
15 bond(s) - 11 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), and 1 phosphonate(s) (thio-) |
What’s the [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate’s molecular weight? |
241.945328 g/mol |
What’s the SMILES code of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
FC(Cl)=NOP(F)(=O)OCCCl |
What’s the InChI string of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
InChI=1S/C3H4Cl2F2NO3P/c4-1-2-10-12(7,9)11-8-3(5)6/h1-2H2 |
What’s the InChIKey code of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
SMQFEAVRLRGYDY-UHFFFAOYSA-N |
1351
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).