3-(trifluoromethyl)pentan-3-ol

C6H11F3O — CID 14249275

IUPAC3-(trifluoromethyl)pentan-3-ol
SMILESCCC(O)(CC)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-3-5(10,4-2)6(7,8)9/h10H,3-4H2,1-2H3
InChIKeyZIXNGPHTXATNAJ-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.10
Rot. Bonds2

About 3-(trifluoromethyl)pentan-3-ol

3-(trifluoromethyl)pentan-3-ol (PubChem CID 14249275) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)pentan-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)pentan-3-ol
PubChem CID14249275
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name3-(trifluoromethyl)pentan-3-ol
SMILESCCC(O)(CC)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-3-5(10,4-2)6(7,8)9/h10H,3-4H2,1-2H3
InChIKeyZIXNGPHTXATNAJ-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-3,3,4,4-tetrafluoro-2-butanol
CID 34628
4,4,5,5,6,6,6-Heptafluoro-3-methylhexan-3-ol
CID 131853889
3,3,4,5,5,5-Hexafluoro-2-methylpentan-2-ol
CID 13442056
3,3-Difluoro-2-methylbutan-2-ol
CID 86683229
2,3-Dimethyl-1-(trifluoromethyl)cyclopropan-1-ol
CID 163654161
5,5,5-Trifluoro-2-methylpentan-2-ol
CID 23272150
3,4,4,4-Tetrafluoro-2,3-dimethylbutan-2-ol
CID 88557567
1-(2,2-Difluoroethyl)cyclopropan-1-ol
CID 165630649
cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol
CID 164675194
3-(Difluoromethyl)pentan-3-ol
CID 15783626
1,1,1-Trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 19788860
2-Fluoromethyl-1,1,1,3,3-pentafluoro-2-pentanol
CID 19788866

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pentan-3-ol?
The IUPAC name of 3-(trifluoromethyl)pentan-3-ol (CID 14249275) is 3-(trifluoromethyl)pentan-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)pentan-3-ol?
The canonical SMILES for 3-(trifluoromethyl)pentan-3-ol is CCC(O)(CC)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)pentan-3-ol?
The InChIKey is ZIXNGPHTXATNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-3-5(10,4-2)6(7,8)9/h10H,3-4H2,1-2H3.
What are the key properties of 3-(trifluoromethyl)pentan-3-ol?
3-(trifluoromethyl)pentan-3-ol has a molecular weight of 156.15 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pentan-3-ol is sourced from PubChem (CID 14249275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).