5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one

C13H7F6NO2 — CID 133091706

IUPAC5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H7F6NO2/c14-12(15,16)9-5-7(6-20-11(9)21)8-3-1-2-4-10(8)22-13(17,18)19/h1-6H,(H,20,21)
InChIKeyWTQQLMDJGIMVLK-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.96
Rot. Bonds2

About 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one

5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 133091706) has the molecular formula C13H7F6NO2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID133091706
Molecular FormulaC13H7F6NO2
Molecular Weight323.19 g/mol
Exact Mass323.04
IUPAC Name5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H7F6NO2/c14-12(15,16)9-5-7(6-20-11(9)21)8-3-1-2-4-10(8)22-13(17,18)19/h1-6H,(H,20,21)
InChIKeyWTQQLMDJGIMVLK-UHFFFAOYSA-N
XLogP3.96
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 118803810
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 119015031
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091414
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091691
6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091442
2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091724
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one (CID 133091706) is 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WTQQLMDJGIMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO2/c14-12(15,16)9-5-7(6-20-11(9)21)8-3-1-2-4-10(8)22-13(17,18)19/h1-6H,(H,20,21).
What are the key properties of 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 323.19 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133091706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).