1,1,1-trifluorobutan-2-ol

C4H7F3O — CID 11332471

IUPAC1,1,1-trifluorobutan-2-ol
SMILESCCC(O)C(F)(F)F
InChIInChI=1S/C4H7F3O/c1-2-3(8)4(5,6)7/h3,8H,2H2,1H3
InChIKeyIBWNUWSYEJOUAH-UHFFFAOYSA-N
MW128.09 g/mol
LogP1.32
Rot. Bonds1

About 1,1,1-trifluorobutan-2-ol

1,1,1-trifluorobutan-2-ol (PubChem CID 11332471) has the molecular formula C4H7F3O and a molecular weight of 128.09 g/mol. Its IUPAC name is 1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluorobutan-2-ol
PubChem CID11332471
Molecular FormulaC4H7F3O
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC Name1,1,1-trifluorobutan-2-ol
SMILESCCC(O)C(F)(F)F
InChIInChI=1S/C4H7F3O/c1-2-3(8)4(5,6)7/h3,8H,2H2,1H3
InChIKeyIBWNUWSYEJOUAH-UHFFFAOYSA-N
XLogP1.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4,4-Tetrafluoro-2-butanol, tech.
CID 28533
1,1,1-Trifluoro-2-propanol
CID 9774
3,3,4,4,5,5,5-Heptafluoropentan-2-ol
CID 78992
2,2-Difluoropropanol
CID 13394818
1,1,1,3,3,4,4,4-Octafluoro-2-butanol
CID 4407544
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-(2H-Perfluoropropyl)ethanol
CID 2775019
1,1-Difluoropropan-2-ol
CID 17775974
1,1,1-Trifluoro-3-methylbutan-2-ol
CID 11400829
4,4-Difluoropentan-2-ol
CID 54493083

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorobutan-2-ol?
The IUPAC name of 1,1,1-trifluorobutan-2-ol (CID 11332471) is 1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 1,1,1-trifluorobutan-2-ol is CCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorobutan-2-ol?
The InChIKey is IBWNUWSYEJOUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O/c1-2-3(8)4(5,6)7/h3,8H,2H2,1H3.
What are the key properties of 1,1,1-trifluorobutan-2-ol?
1,1,1-trifluorobutan-2-ol has a molecular weight of 128.09 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 11332471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).