6,6,6-trifluorohexan-2-ol

C6H11F3O — CID 57165798

IUPAC6,6,6-trifluorohexan-2-ol
SMILESCC(O)CCCC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(10)3-2-4-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyMYBACPGEQCKHJA-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.10
Rot. Bonds3

About 6,6,6-trifluorohexan-2-ol

6,6,6-trifluorohexan-2-ol (PubChem CID 57165798) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluorohexan-2-ol
PubChem CID57165798
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name6,6,6-trifluorohexan-2-ol
SMILESCC(O)CCCC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(10)3-2-4-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyMYBACPGEQCKHJA-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-Hexanol
CID 12297
3,3,4,4,5,5,6,6,7,7,7-Undecafluoroheptan-2-ol
CID 18994450
3,3,4,4,5,5,5-Heptafluoropentan-2-ol
CID 78992
5,5,5-Trifluoropentan-1-ol
CID 2769672
(2S)-hexan-2-ol
CID 638097
2-Hexanol, (R)-
CID 6993810
3,3-Difluoropentan-1-ol
CID 53682984
4,4-Difluoropentan-1-ol
CID 54148084
3,3,4,5,5,6,6,7,7,7-Decafluoroheptan-2-ol
CID 132200092
2-Butanol, 4,4-difluoro-
CID 46412
1-(2H-Perfluoropropyl)ethanol
CID 2775019
5,5,5-Trifluoropentan-2-ol
CID 13620753

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluorohexan-2-ol?
The IUPAC name of 6,6,6-trifluorohexan-2-ol (CID 57165798) is 6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 6,6,6-trifluorohexan-2-ol is CC(O)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluorohexan-2-ol?
The InChIKey is MYBACPGEQCKHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-5(10)3-2-4-6(7,8)9/h5,10H,2-4H2,1H3.
What are the key properties of 6,6,6-trifluorohexan-2-ol?
6,6,6-trifluorohexan-2-ol has a molecular weight of 156.15 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 57165798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).