1-(2,4,6-trifluorophenyl)propan-1-ol

C9H9F3O — CID 61087665

IUPAC1-(2,4,6-trifluorophenyl)propan-1-ol
SMILESCCC(O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H9F3O/c1-2-8(13)9-6(11)3-5(10)4-7(9)12/h3-4,8,13H,2H2,1H3
InChIKeyCHRHZJPSOQHYSZ-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.55
Rot. Bonds2

About 1-(2,4,6-trifluorophenyl)propan-1-ol

1-(2,4,6-trifluorophenyl)propan-1-ol (PubChem CID 61087665) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 1-(2,4,6-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4,6-trifluorophenyl)propan-1-ol
PubChem CID61087665
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name1-(2,4,6-trifluorophenyl)propan-1-ol
SMILESCCC(O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H9F3O/c1-2-8(13)9-6(11)3-5(10)4-7(9)12/h3-4,8,13H,2H2,1H3
InChIKeyCHRHZJPSOQHYSZ-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
CID 139965748
(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
CID 171204882
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087293
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
1-(2,4,6-trifluorophenyl)butane-1,2,4-triol
CID 171872119
(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
CID 103304921
2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 62538036
(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 103303216
1-(2-chloro-4,6-difluorophenyl)ethanol
CID 178189080
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trifluorophenyl)propan-1-ol?
The IUPAC name of 1-(2,4,6-trifluorophenyl)propan-1-ol (CID 61087665) is 1-(2,4,6-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(2,4,6-trifluorophenyl)propan-1-ol?
The canonical SMILES for 1-(2,4,6-trifluorophenyl)propan-1-ol is CCC(O)c1c(F)cc(F)cc1F.
What is the InChIKey of 1-(2,4,6-trifluorophenyl)propan-1-ol?
The InChIKey is CHRHZJPSOQHYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-2-8(13)9-6(11)3-5(10)4-7(9)12/h3-4,8,13H,2H2,1H3.
What are the key properties of 1-(2,4,6-trifluorophenyl)propan-1-ol?
1-(2,4,6-trifluorophenyl)propan-1-ol has a molecular weight of 190.16 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 61087665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).