6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C14H12F3NO — CID 106516381

IUPAC6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1ccc(-c2cc(C(F)(F)F)cc(=O)[nH]2)cc1
InChIInChI=1S/C14H12F3NO/c1-2-9-3-5-10(6-4-9)12-7-11(14(15,16)17)8-13(19)18-12/h3-8H,2H2,1H3,(H,18,19)
InChIKeyFVDMFHOUYCIMKO-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.62
Rot. Bonds2

About 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106516381) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106516381
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1ccc(-c2cc(C(F)(F)F)cc(=O)[nH]2)cc1
InChIInChI=1S/C14H12F3NO/c1-2-9-3-5-10(6-4-9)12-7-11(14(15,16)17)8-13(19)18-12/h3-8H,2H2,1H3,(H,18,19)
InChIKeyFVDMFHOUYCIMKO-UHFFFAOYSA-N
XLogP3.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516388
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106513664
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516941
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516207
6-(2,5-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517237
6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515766
5-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 4105276
6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515706

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106516381) is 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is CCc1ccc(-c2cc(C(F)(F)F)cc(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FVDMFHOUYCIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-2-9-3-5-10(6-4-9)12-7-11(14(15,16)17)8-13(19)18-12/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 267.25 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106516381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).