1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one

C14H12F3NO2 — CID 81319775

IUPAC1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CC(O)c1ccccc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)12-7-4-8-13(20)18(12)9-11(19)10-5-2-1-3-6-10/h1-8,11,19H,9H2
InChIKeyUWRPQBDHXSHNOH-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.60
Rot. Bonds3

About 1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one

1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319775) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319775
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CC(O)c1ccccc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)12-7-4-8-13(20)18(12)9-11(19)10-5-2-1-3-6-10/h1-8,11,19H,9H2
InChIKeyUWRPQBDHXSHNOH-UHFFFAOYSA-N
XLogP2.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 81319391
1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319773
1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319664
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
CID 21492519
1-[2-(bromomethyl)pentyl]-6-(trifluoromethyl)pyridin-2-one
CID 81320319
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704
1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81320413
1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one
CID 103065846
2-[1-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]cyclopropyl]acetic acid
CID 81318804
1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319024
1-(6-chlorohexyl)-6-(trifluoromethyl)pyridin-2-one
CID 81318678
3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid
CID 81319021

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one (CID 81319775) is 1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CC(O)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is UWRPQBDHXSHNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)12-7-4-8-13(20)18(12)9-11(19)10-5-2-1-3-6-10/h1-8,11,19H,9H2.
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one?
1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 283.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).