Structure & Deep Data of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride (C7F16O4S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride molecule contains a total of 27 bond(s). There are 27 non-H bond(s), 2 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 2 ether(s) (aliphatic), and 1 sulfone(s). Images of the chemical structure of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride are given below:

The 2D chemical structure image of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride 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 Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride 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 Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride. Download structure data file (SDF/MOL) file of this compound.

---

Search Another Chemical Structure

Enter another compound to search for chemical structure:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride

  The SMILES string of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride is FC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)S(F)(=O)=O)C(F)(F)F, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride.

• Structure Data File (SDF/MOL File) of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride

  The structure data file (SDF/MOL File) of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride is available for download in the SDF page of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride, which provides the information about the atoms, bonds, connectivity and coordinates of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride. The Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride

  The molecular formula of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride is available in chemical formula page of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride

  The molecular weight of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride is available in molecular weight page of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride, 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.

• Other names (synonyms) or registry numbers of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride

  The Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride including the various registry numbers, if available:

  • 1,1,2,2-tetrakis(fluoranyl)-2-[1,1,1,2,3,3-hexakis(fluoranyl)-3-[1,1,2,2,2-pentakis(fluoranyl)ethoxy]propan-2-yl]oxy-ethanesulfonyl fluoride
  • 1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethane-1-sulfonyl fluoride
  • 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride
  • C-27889
  • A819177
  • MFCD00155782
  • ZX-AP005116
  • 1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethanesulfonyl fluoride
  • Perfluoro(4-methyl-3,6-dioxaoctane)sulfonyl fluoride
  • Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride

  • 27744-59-8

---

Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride?
C7F16O4S
How many atoms and what are the elements included the Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride molecule?
28 atom(s) - 7 Carbon atom(s), 4 Oxygen atom(s), 1 Sulfur atom(s), and 16 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride structure?
27 bond(s) - 27 non-H bond(s), 2 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 2 ether(s) (aliphatic), and 1 sulfone(s)
What’s the Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride’s molecular weight?
484.111951 g/mol
What’s the SMILES code of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride?
FC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)S(F)(=O)=O)C(F)(F)F
What’s the InChI string of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride?
InChI=1S/C7F16O4S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25
What’s the InChIKey code of Perfluoro(4-methyl-3,6-dioxaoctane)sulphonyl fluoride?
VQUXEUQKVBTRLT-UHFFFAOYSA-N

16 The contents of this page can freely be shared if cited as follows:
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).