1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

C14H9ClF3NO2 — CID 2746342

IUPAC1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClF3NO2/c15-10-5-3-9(4-6-10)12(20)8-19-7-1-2-11(13(19)21)14(16,17)18/h1-7H,8H2
InChIKeyZVEAPNIPURABTP-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.40
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 2746342) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID2746342
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClF3NO2/c15-10-5-3-9(4-6-10)12(20)8-19-7-1-2-11(13(19)21)14(16,17)18/h1-7H,8H2
InChIKeyZVEAPNIPURABTP-UHFFFAOYSA-N
XLogP3.40
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 2746342) is 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZVEAPNIPURABTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-10-5-3-9(4-6-10)12(20)8-19-7-1-2-11(13(19)21)14(16,17)18/h1-7H,8H2.
What are the key properties of 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 315.68 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 2746342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).