1,1,1-trifluoro-3,3-dimethylbutan-2-ol

C6H11F3O — CID 10866578

IUPAC1,1,1-trifluoro-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(2,3)4(10)6(7,8)9/h4,10H,1-3H3
InChIKeyWNVPWDLBCRTOGW-UHFFFAOYSA-N
MW156.15 g/mol
LogP1.96
Rot. Bonds

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

1,1,1-trifluoro-3,3-dimethylbutan-2-ol (PubChem CID 10866578) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethylbutan-2-ol
PubChem CID10866578
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1,1,1-trifluoro-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(2,3)4(10)6(7,8)9/h4,10H,1-3H3
InChIKeyWNVPWDLBCRTOGW-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Dimethyl-2-butanol
CID 10045
(2R)-3,3-dimethylbutan-2-ol
CID 6992799
(2S)-3,3-Dimethyl-2-butanol
CID 6999961
2-Butanol, 4,4-difluoro-
CID 46412
3,3,3-Trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
1,1,1-Trifluoro-3-methylbutan-2-ol
CID 11400829
3,3-Difluorobutan-2-ol
CID 18353970
1,1-Difluoro-3-methylbutan-2-ol
CID 80611065
4,4,4-Trifluoro-3,3-dimethylbutan-1-ol
CID 118496722
3,3-Difluoro-2,2-dimethylpropan-1-ol
CID 121206990
2-(Difluoromethyl)-2-methylbutan-1-ol
CID 129071005
(Perfluoro-t-butyl)ethanol
CID 23262297

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,3-dimethylbutan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethylbutan-2-ol (CID 10866578) is 1,1,1-trifluoro-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethylbutan-2-ol?
The InChIKey is WNVPWDLBCRTOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-5(2,3)4(10)6(7,8)9/h4,10H,1-3H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethylbutan-2-ol?
1,1,1-trifluoro-3,3-dimethylbutan-2-ol has a molecular weight of 156.15 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 10866578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).