1,1,1-trifluoropropan-2-ol

C3H5F3O — CID 9774

IUPAC1,1,1-trifluoropropan-2-ol
SMILESCC(O)C(F)(F)F
InChIInChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
InChIKeyGILIYJDBJZWGBG-UHFFFAOYSA-N
MW114.07 g/mol
LogP0.93
Rot. Bonds

About 1,1,1-trifluoropropan-2-ol

1,1,1-trifluoropropan-2-ol (PubChem CID 9774) has the molecular formula C3H5F3O and a molecular weight of 114.07 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-ol
PubChem CID9774
Molecular FormulaC3H5F3O
Molecular Weight114.07 g/mol
Exact Mass114.03
IUPAC Name1,1,1-trifluoropropan-2-ol
SMILESCC(O)C(F)(F)F
InChIInChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
InChIKeyGILIYJDBJZWGBG-UHFFFAOYSA-N
XLogP0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.07
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-propanol
CID 13529
3,3,4,4-Tetrafluoro-2-butanol, tech.
CID 28533
1,3-Difluoro-2-propanol
CID 67985
2,2-Difluoropropanol
CID 13394818
1-Fluoropropan-2-ol
CID 101671
3,3,4,4,4-Pentafluorobutan-2-ol
CID 78991
(2S)-1,1,1-Trifluoropropan-2-ol
CID 6999971
2-Butanol, 4,4-difluoro-
CID 46412
1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol
CID 2724852
1,1,1-Trifluorobutan-2-ol
CID 11332471
1,1-Difluoropropan-2-ol
CID 17775974
(2S)-1-fluoropropan-2-ol
CID 13278460

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-ol?
The IUPAC name of 1,1,1-trifluoropropan-2-ol (CID 9774) is 1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 1,1,1-trifluoropropan-2-ol is CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-ol?
The InChIKey is GILIYJDBJZWGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3.
What are the key properties of 1,1,1-trifluoropropan-2-ol?
1,1,1-trifluoropropan-2-ol has a molecular weight of 114.07 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 9774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).