SDF/Mol File of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane (C5H3F7)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane Molecule

• Chemical structure of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane is available in chemical structure page of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane

  The molecular weight of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane is available in molecular weight page of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane

  The chemical formula of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane is given in chemical formula page of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane is:

  InChI=1S/C5H3F7/c6-3(7)1-2(4(3,8)9)5(10,11)12/h2H,1H2/t2-/m1/s1

  It can provide a standard way to encode the molecular information of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane 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 (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane is:

  InChIKey=NVPQSHJCSFSTAU-UWTATZPHSA-N

  The InChIKey may allow easier web searches for (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane, but it needs to be linked to the full InChI to get back to the original structure of the (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane

  The (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane including the registry numbers are listed below, if available:

  
  
  None available.

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(3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane Identification Summary Frequently Asked Questions (FAQs)

What’s the (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane formula?
C5H3F7
How many atoms and what elements are included in the (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane molecule?
15 atom(s) - 3 Hydrogen atom(s), 5 Carbon atom(s), and 7 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane structure?
15 bond(s) - 12 non-H bond(s) and 1 four-membered ring(s)
What’s the (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane’s molar mass?
196.06614 g/mol
What’s the SMILES structure of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane?
FC(F)(F)C1CC(F)(F)C1(F)F
What’s the InChI code of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane?
InChI=1S/C5H3F7/c6-3(7)1-2(4(3,8)9)5(10,11)12/h2H,1H2/t2-/m1/s1
What’s the InChIKey format of (3R)-1,1,2,2-tetrafluoro-3-(trifluoromethyl)cyclobutane?
NVPQSHJCSFSTAU-UWTATZPHSA-N

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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).