5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one

C12H8F3NO — CID 4785619

IUPAC5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]cc1-c1ccccc1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11-6-10(17)9(7-16-11)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyXWLCPXOLNKSTEU-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.06
Rot. Bonds1

About 5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one

5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 4785619) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID4785619
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]cc1-c1ccccc1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11-6-10(17)9(7-16-11)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyXWLCPXOLNKSTEU-UHFFFAOYSA-N
XLogP3.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2E)-3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 5374477
(2E)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 5398493
(E)-1-(2,6-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 5713838
1-(2,4-Difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 5714027
(2E)-4,4,4-trifluoro-3-[(2-hydroxyethyl)amino]-1-phenylbut-2-en-1-one
CID 5389158
(E)-3-(dimethylamino)-1-(2-fluorophenyl)prop-2-en-1-one
CID 1478871
(Z)-3-amino-4,4,4-trifluoro-1-(4-fluorophenyl)but-2-en-1-one
CID 44247923
(Z)-3-Amino-4,4,4-trifluoro-1-phenyl-2-buten-1-one
CID 5376101
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 23345745
2,6-Dimethyl-3-phenyl-4(1H)-pyridinone
CID 14950490
(2E)-3-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 5714026
3-Amino-4,4,5,5,6,6,6-heptafluoro-1-phenylhex-2-en-1-one
CID 71328270

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one (CID 4785619) is 5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(C(F)(F)F)[nH]cc1-c1ccccc1.
What is the InChIKey of 5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is XWLCPXOLNKSTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)11-6-10(17)9(7-16-11)8-4-2-1-3-5-8/h1-7H,(H,16,17).
What are the key properties of 5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one?
5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 239.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 4785619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).