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

C15H12F3NO — CID 105095584

IUPAC3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)12-6-4-11(5-7-12)14(20)9-8-13-3-1-2-10-19-13/h1-7,10H,8-9H2
InChIKeyGAUDOSHUSWMAAY-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.92
Rot. Bonds4

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

3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 105095584) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID105095584
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(CCc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)12-6-4-11(5-7-12)14(20)9-8-13-3-1-2-10-19-13/h1-7,10H,8-9H2
InChIKeyGAUDOSHUSWMAAY-UHFFFAOYSA-N
XLogP3.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097579
1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 58247776
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
CID 102752303
3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 24725798
1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 159232432
[3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302330
N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 20850239
3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 60601250
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
CID 142703913
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
2-(2-pyridin-2-ylpyridin-1-ium-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 172549334

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one (CID 105095584) is 3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one is O=C(CCc1ccccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is GAUDOSHUSWMAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)12-6-4-11(5-7-12)14(20)9-8-13-3-1-2-10-19-13/h1-7,10H,8-9H2.
What are the key properties of 3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 279.26 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 105095584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).