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

C15H12F3NO — CID 102708685

IUPAC1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO/c1-2-14(20)11-5-3-4-10(8-11)12-9-19-7-6-13(12)15(16,17)18/h3-9H,2H2,1H3
InChIKeyHCWYOEBJMSALQG-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.36
Rot. Bonds3

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

1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one (PubChem CID 102708685) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one
PubChem CID102708685
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO/c1-2-14(20)11-5-3-4-10(8-11)12-9-19-7-6-13(12)15(16,17)18/h3-9H,2H2,1H3
InChIKeyHCWYOEBJMSALQG-UHFFFAOYSA-N
XLogP4.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-isoquinolin-4-ylphenyl)propan-1-one
CID 63938380
3-(3-carboxyphenyl)pyridine-4-carboxylic acid
CID 53223171
1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
CID 55198842
N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine
CID 102708741
1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one
CID 54912702
1-[3-(1,1-difluoroethyl)phenyl]propan-1-one
CID 162577233
2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine
CID 169408045
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
1-phenyl-3-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102708860
N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide
CID 118779197
3-[3-(5-ethyl-2-methyl-4-pyridinyl)phenyl]-3-oxo-N-[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]propanamide
CID 90966027
tert-butyl 3-(3-phenyl-4-pyridinyl)benzoate
CID 174627980

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one?
The IUPAC name of 1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one (CID 102708685) is 1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one?
The canonical SMILES for 1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one is CCC(=O)c1cccc(-c2cnccc2C(F)(F)F)c1.
What is the InChIKey of 1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one?
The InChIKey is HCWYOEBJMSALQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-2-14(20)11-5-3-4-10(8-11)12-9-19-7-6-13(12)15(16,17)18/h3-9H,2H2,1H3.
What are the key properties of 1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one?
1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one has a molecular weight of 279.26 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one is sourced from PubChem (CID 102708685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).