6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one

C19H11F6NO — CID 161113936

IUPAC6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccccc2)n1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C19H11F6NO/c20-14-7-6-12(17(21)18(14)22)10-26-15(11-4-2-1-3-5-11)8-13(9-16(26)27)19(23,24)25/h1-9H,10H2
InChIKeyHNXAPOUCQQAZRH-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.00
Rot. Bonds3

About 6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one

6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one (PubChem CID 161113936) has the molecular formula C19H11F6NO and a molecular weight of 383.29 g/mol. Its IUPAC name is 6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one
PubChem CID161113936
Molecular FormulaC19H11F6NO
Molecular Weight383.29 g/mol
Exact Mass383.07
IUPAC Name6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccccc2)n1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C19H11F6NO/c20-14-7-6-12(17(21)18(14)22)10-26-15(11-4-2-1-3-5-11)8-13(9-16(26)27)19(23,24)25/h1-9H,10H2
InChIKeyHNXAPOUCQQAZRH-UHFFFAOYSA-N
XLogP5.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dimethylphenyl)methyl]-6-[3-(1H-indol-5-yl)phenyl]-4-(trifluoromethyl)pyridin-2-one
CID 152572101
1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one
CID 158368432
3-isocyano-6-phenyl-4-(trifluoromethyl)-1-[(2,3,5-trifluorophenyl)methyl]pyridin-2-one
CID 59099105
1-[(4-chloro-2-methylphenyl)methyl]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67338831
7-(trifluoromethyl)-9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174399765
6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one
CID 72931524
6-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-1-[(2,4-difluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59726399
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
2-[(2,4-dimethylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 66882876
1-[(2,4-difluorophenyl)methyl]-2-oxo-6-[4-(2-phenylethenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67389256

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one (CID 161113936) is 6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2ccccc2)n1Cc1ccc(F)c(F)c1F.
What is the InChIKey of 6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one?
The InChIKey is HNXAPOUCQQAZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6NO/c20-14-7-6-12(17(21)18(14)22)10-26-15(11-4-2-1-3-5-11)8-13(9-16(26)27)19(23,24)25/h1-9H,10H2.
What are the key properties of 6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one?
6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one has a molecular weight of 383.29 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(trifluoromethyl)-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 161113936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).