SDF/Mol File of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate (C3H4Cl2F2NO3P)
Identification of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate Chemical Compound
![2D chemical structure image of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate](http://static.molinstincts.com/compound_common/chloro-fluoro-methylidene-amino-2-chloroethyl-fluorophosphonate-2D-structure-CT1096471309.png)
| Chemical Formula | C3H4Cl2F2NO3P |
|---|---|
| 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
![3D chemical structure image of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate](http://static.molinstincts.com/compound_3d/chloro-fluoro-methylidene-amino-2-chloroethyl-fluorophosphonate-3D-structure-CT1096471309.png)
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate Molecule
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Chemical structure of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is available in chemical structure page of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The chemical formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is given 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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InChI (IUPAC International Chemical Identifier) information of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
An alternative way of expressing structural information in text format is InChI. The full standard InChI of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is:
InChI=1S/C3H4Cl2F2NO3P/c4-1-2-10-12(7,9)11-8-3(5)6/h1-2H2
It can provide a standard way to encode the molecular information of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is:
InChIKey=SMQFEAVRLRGYDY-UHFFFAOYSA-N
The InChIKey may allow easier web searches for [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate, but it needs to be linked to the full InChI to get back to the original structure of the [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate since the full standard InChI cannot be reconstructed from the InChIKey.
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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 named differently depending on the various situations of industrial applications. Other names (synonyms) of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate including the registry numbers are listed below, if available:
None available.
[chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate Identification Summary Frequently Asked Questions (FAQs)
| What’s the [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate formula? |
|---|
| C3H4Cl2F2NO3P |
| How many atoms and what elements are included in 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 in 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 molar mass? |
| 241.945328 g/mol |
| What’s the SMILES structure of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
| FC(Cl)=NOP(F)(=O)OCCCl |
| What’s the InChI code 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 format of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
| SMQFEAVRLRGYDY-UHFFFAOYSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).