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

C13H7F6NO — CID 133092058

IUPAC3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccccc2C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C13H7F6NO/c14-12(15,16)8-4-2-1-3-7(8)11-10(13(17,18)19)9(21)5-6-20-11/h1-6H,(H,20,21)
InChIKeyUCZVJEAXQGHBHQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.08
Rot. Bonds1

About 3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one

3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one (PubChem CID 133092058) has the molecular formula C13H7F6NO and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
PubChem CID133092058
Molecular FormulaC13H7F6NO
Molecular Weight307.19 g/mol
Exact Mass307.04
IUPAC Name3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccccc2C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C13H7F6NO/c14-12(15,16)8-4-2-1-3-7(8)11-10(13(17,18)19)9(21)5-6-20-11/h1-6H,(H,20,21)
InChIKeyUCZVJEAXQGHBHQ-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

2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091724
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091420
2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133092470
2-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118816068
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
CID 53223948
2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 130769264
5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133092027
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
6-[2-(trifluoromethyl)phenyl]-1H-pyridine-2-thione
CID 106516792
4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one
CID 43286788
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The IUPAC name of 3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one (CID 133092058) is 3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one is O=c1cc[nH]c(-c2ccccc2C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The InChIKey is UCZVJEAXQGHBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO/c14-12(15,16)8-4-2-1-3-7(8)11-10(13(17,18)19)9(21)5-6-20-11/h1-6H,(H,20,21).
What are the key properties of 3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-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 3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 133092058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).