1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol

C11H10F6O — CID 139965745

IUPAC1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)c1cccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C11H10F6O/c1-2-8(18)6-4-3-5-7(10(12,13)14)9(6)11(15,16)17/h3-5,8,18H,2H2,1H3
InChIKeyIIVGXCMUCPKZGE-UHFFFAOYSA-N
MW272.19 g/mol
LogP4.17
Rot. Bonds2

About 1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol

1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 139965745) has the molecular formula C11H10F6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol
PubChem CID139965745
Molecular FormulaC11H10F6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)c1cccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C11H10F6O/c1-2-8(18)6-4-3-5-7(10(12,13)14)9(6)11(15,16)17/h3-5,8,18H,2H2,1H3
InChIKeyIIVGXCMUCPKZGE-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,3-bis(trifluoromethyl)phenyl]-N-methylpropan-1-amine
CID 139966105
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2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
1-(2-sulfanylphenyl)propan-1-ol
CID 173402717
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-(2-fluoro-3-methylphenyl)propan-1-ol
CID 115787793
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
1-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propan-1-one
CID 134617274
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-sulfanylbutane-1,2-diol
CID 171874618

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol (CID 139965745) is 1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol is CCC(O)c1cccc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is IIVGXCMUCPKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O/c1-2-8(18)6-4-3-5-7(10(12,13)14)9(6)11(15,16)17/h3-5,8,18H,2H2,1H3.
What are the key properties of 1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol?
1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 139965745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).