4,4,4-trifluoro-3,3-dimethylbutan-1-ol

C6H11F3O — CID 118496722

IUPAC4,4,4-trifluoro-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(2,3-4-10)6(7,8)9/h10H,3-4H2,1-2H3
InChIKeyQXWRYXWCZNJREB-UHFFFAOYSA-N
MW156.15 g/mol
LogP1.96
Rot. Bonds2

About 4,4,4-trifluoro-3,3-dimethylbutan-1-ol

4,4,4-trifluoro-3,3-dimethylbutan-1-ol (PubChem CID 118496722) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-3,3-dimethylbutan-1-ol
PubChem CID118496722
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name4,4,4-trifluoro-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(2,3-4-10)6(7,8)9/h10H,3-4H2,1-2H3
InChIKeyQXWRYXWCZNJREB-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-1-butanol
CID 12233
2,2-Dimethylbutanol
CID 14454
2,2-Difluorobutan-1-ol
CID 21880591
3,3-Difluorobutan-1-ol
CID 53831960
3,3,3-Trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
1,1,1-Trifluoro-3,3-dimethylbutan-2-ol
CID 10866578
(2,2-Difluoro-1-methylcyclopropyl)methanol
CID 14695233
4,4,4-Trifluoro-3-methylbutan-1-ol
CID 274355
4,4,4-Trifluoro-2-methylbutan-1-ol
CID 2775532
4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol
CID 2782627
2,2-Difluoro-3-methylbutan-1-ol
CID 57675516
3-Fluoro-3-methylbutan-1-ol
CID 59708471

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3,3-dimethylbutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-3,3-dimethylbutan-1-ol (CID 118496722) is 4,4,4-trifluoro-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-3,3-dimethylbutan-1-ol is CC(C)(CCO)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3,3-dimethylbutan-1-ol?
The InChIKey is QXWRYXWCZNJREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-5(2,3-4-10)6(7,8)9/h10H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3,3-dimethylbutan-1-ol?
4,4,4-trifluoro-3,3-dimethylbutan-1-ol has a molecular weight of 156.15 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 118496722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).