1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one

C15H12F3NO — CID 102708860

IUPAC1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
SMILESO=C(CCc1cnccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)13-8-9-19-10-12(13)6-7-14(20)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyRJMPAWNUFIWNJM-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.92
Rot. Bonds4

About 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one

1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one (PubChem CID 102708860) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
PubChem CID102708860
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
SMILESO=C(CCc1cnccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)13-8-9-19-10-12(13)6-7-14(20)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyRJMPAWNUFIWNJM-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

Analyze 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008772
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606
3-(3-chloropropyl)-4-(trifluoromethyl)pyridine
CID 102708951
3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
CID 102755961
2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
3-heptyl-4-(trifluoromethyl)pyridine
CID 130384281
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709433
1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 71137112
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
3-(2-bromophenyl)-1-phenylpropan-1-one
CID 11358208
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707552

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one (CID 102708860) is 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one is O=C(CCc1cnccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one?
The InChIKey is RJMPAWNUFIWNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)13-8-9-19-10-12(13)6-7-14(20)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2.
What are the key properties of 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one?
1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]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 1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 102708860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).