4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C13H7F6NO — CID 106516768

IUPAC4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccccc2C(F)(F)F)[nH]1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)7-5-10(20-11(21)6-7)8-3-1-2-4-9(8)13(17,18)19/h1-6H,(H,20,21)
InChIKeySZSHCXKOOUBXIX-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.08
Rot. Bonds1

About 4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one

4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 106516768) has the molecular formula C13H7F6NO and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID106516768
Molecular FormulaC13H7F6NO
Molecular Weight307.19 g/mol
Exact Mass307.04
IUPAC Name4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccccc2C(F)(F)F)[nH]1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)7-5-10(20-11(21)6-7)8-3-1-2-4-9(8)13(17,18)19/h1-6H,(H,20,21)
InChIKeySZSHCXKOOUBXIX-UHFFFAOYSA-N
XLogP4.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2,5-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517237
6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one
CID 43286788
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 20626317
6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106513664
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516941
5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133092027
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
7-(2-oxo-1-pyridinyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 11853419
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516381

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 106516768) is 4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2ccccc2C(F)(F)F)[nH]1.
What is the InChIKey of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is SZSHCXKOOUBXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO/c14-12(15,16)7-5-10(20-11(21)6-7)8-3-1-2-4-9(8)13(17,18)19/h1-6H,(H,20,21).
What are the key properties of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 307.19 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 106516768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).