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Formula of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol (C5H8F4O)

Identification of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol Chemical Compound

2D chemical structure image of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol
Chemical Formula C5H8F4O
Molecular Weight 160.11003 g/mol
IUPAC Name 3,3,4,4-tetrafluoro-2-methylbutan-2-ol
SMILES String CC(C)(O)C(F)(F)C(F)F
InChI InChI=1S/C5H8F4O/c1-4(2,10)5(8,9)3(6)7/h3,10H,1-2H3
InChIKey NCMPMCXQKBZXGI-UHFFFAOYSA-N

Chemical Formula Description

The 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol molecule contains a total of 18 atom(s). There are 8 Hydrogen atom(s), 5 Carbon atom(s), 1 Oxygen atom(s), and 4 Fluorine atom(s). A chemical formula of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol can therefore be written as:

C5H8F4O

The chemical formula of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol
Ball-and-stick model of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol

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  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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


  • InChI (IUPAC International Chemical Identifier) information of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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 have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol including the registry numbers is given 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

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

What’s the chemical formula of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol?
C5H8F4O
How many atoms and what are they in the 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol structure?
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 are they 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 molecular weight of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol?
160.11003 g/mol
What’s the SMILES string of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol?
CC(C)(O)C(F)(F)C(F)F
What’s the InChI 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 of 2,2,3,3-Tetrafluoro-1,1-dimethylpropanol?
NCMPMCXQKBZXGI-UHFFFAOYSA-N

249 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).

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