SDF/Mol File of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol (C5H8F4O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol Molecule

• Chemical structure of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol

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

• Molecular weight of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol

  The molecular weight of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol is available in molecular weight page of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol, 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 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol

  The chemical formula of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol is given in chemical formula page of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol, 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 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol is:

  InChI=1S/C5H8F4O/c1-4(2,10)5(8,9)3(6)7/h3,10H,1-2H3

  It can provide a standard way to encode the molecular information of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol 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 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol is:

  InChIKey=NCMPMCXQKBZXGI-UHFFFAOYSA-N

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

• Other names (synonyms) or registry numbers of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol

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

  • C-49893
  • 3,3,4,4-Tetrafluoro-2-methyl-2-butanol #
  • 2-Butanol,3,3,4,4-tetrafluoro-2-methyl-
  • 1,1,2,2-Tetrafluoro-3-methyl-3-butanol
  • 2-Butanol,3,4,4-tetrafluoro-2-methyl-
  • 2,3,3-Tetrafluoro-1,1-dimethylpropanol
  • 2-Methyl-3,4,4-tetrafluoro-2-butanol
  • CCG-40565
  • 0XK3480CJR
  • 2,2,3,3-TETRAFLURO-1,1-DIMTHYLPROPANOL

  • 3,3,4,4-Tetrafluoro-2-methyl-2-butanol
  • 2-BUTANOL, 2-METHYL-3,3,4,4-TETRAFLUORO-
  • 2-Butanol, 3,3,4,4-tetrafluoro-2-methyl-
  • 2-Methyl-3,3,4,4-tetrafluoro-2-butanol
  • 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol
  • 29553-26-2

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2,2,3,3-Tetrafluoro-1,1-dimethylpropanol Identification Summary Frequently Asked Questions (FAQs)

What’s the 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol formula?
C5H8F4O
How many atoms and what elements are included in the 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol molecule?
18 atom(s) - 8 Hydrogen atom(s), 5 Carbon atom(s), 1 Oxygen atom(s), and 4 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol structure?
17 bond(s) - 9 non-H bond(s), 1 rotatable bond(s), 1 hydroxyl group(s), and 1 tertiary alcohol(s)
What’s the 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol’s molar mass?
160.11003 g/mol
What’s the SMILES structure of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol?
CC(C)(O)C(F)(F)C(F)F
What’s the InChI code of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol?
InChI=1S/C5H8F4O/c1-4(2,10)5(8,9)3(6)7/h3,10H,1-2H3
What’s the InChIKey format of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol?
NCMPMCXQKBZXGI-UHFFFAOYSA-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).