1,1,1-trifluoro-3-methylbutan-2-ol

C5H9F3O — CID 11400829

IUPAC1,1,1-trifluoro-3-methylbutan-2-ol
SMILESCC(C)C(O)C(F)(F)F
InChIInChI=1S/C5H9F3O/c1-3(2)4(9)5(6,7)8/h3-4,9H,1-2H3
InChIKeyFPIWJHHQCNHQIC-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.57
Rot. Bonds1

About 1,1,1-trifluoro-3-methylbutan-2-ol

1,1,1-trifluoro-3-methylbutan-2-ol (PubChem CID 11400829) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methylbutan-2-ol
PubChem CID11400829
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name1,1,1-trifluoro-3-methylbutan-2-ol
SMILESCC(C)C(O)C(F)(F)F
InChIInChI=1S/C5H9F3O/c1-3(2)4(9)5(6,7)8/h3-4,9H,1-2H3
InChIKeyFPIWJHHQCNHQIC-UHFFFAOYSA-N
XLogP1.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-2-butanol
CID 11732
(2S)-3-methylbutan-2-ol
CID 6999784
(2R)-3-methylbutan-2-ol
CID 638099
2-Butanol, 4,4-difluoro-
CID 46412
3,3,3-Trifluoro-2-methylpropan-1-ol
CID 10148993
1,1,1-Trifluorobutan-2-ol
CID 11332471
1,1,1-Trifluoro-3,3-dimethylbutan-2-ol
CID 10866578
4,4,4-Trifluoro-3-methylbutan-1-ol
CID 274355
4,4,4-Trifluoro-2-methylbutan-1-ol
CID 2775532
3,3-Difluorobutan-2-ol
CID 18353970
(2R)-4,4,4-trifluorobutan-2-ol
CID 26941382
2,2-Difluoro-3-methylbutan-1-ol
CID 57675516

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methylbutan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-methylbutan-2-ol (CID 11400829) is 1,1,1-trifluoro-3-methylbutan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-methylbutan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-methylbutan-2-ol is CC(C)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methylbutan-2-ol?
The InChIKey is FPIWJHHQCNHQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c1-3(2)4(9)5(6,7)8/h3-4,9H,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methylbutan-2-ol?
1,1,1-trifluoro-3-methylbutan-2-ol has a molecular weight of 142.12 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methylbutan-2-ol is sourced from PubChem (CID 11400829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).