3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol

C6H9F5O — CID 87318220

IUPAC3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol
SMILESCC(F)(F)C(C)(CO)C(F)(F)F
InChIInChI=1S/C6H9F5O/c1-4(3-12,5(2,7)8)6(9,10)11/h12H,3H2,1-2H3
InChIKeyVYMGOQMZISTHLI-UHFFFAOYSA-N
MW192.13 g/mol
LogP2.20
Rot. Bonds2

About 3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol

3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol (PubChem CID 87318220) has the molecular formula C6H9F5O and a molecular weight of 192.13 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol
PubChem CID87318220
Molecular FormulaC6H9F5O
Molecular Weight192.13 g/mol
Exact Mass192.06
IUPAC Name3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol
SMILESCC(F)(F)C(C)(CO)C(F)(F)F
InChIInChI=1S/C6H9F5O/c1-4(3-12,5(2,7)8)6(9,10)11/h12H,3H2,1-2H3
InChIKeyVYMGOQMZISTHLI-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol?
The IUPAC name of 3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol (CID 87318220) is 3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol is CC(F)(F)C(C)(CO)C(F)(F)F.
What is the InChIKey of 3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol?
The InChIKey is VYMGOQMZISTHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O/c1-4(3-12,5(2,7)8)6(9,10)11/h12H,3H2,1-2H3.
What are the key properties of 3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol?
3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol has a molecular weight of 192.13 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyl-2-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 87318220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).