2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

C15H12F3NO — CID 102707574

IUPAC2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCc1ccc(CC(=O)c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO/c1-10-2-4-11(5-3-10)8-14(20)12-9-19-7-6-13(12)15(16,17)18/h2-7,9H,8H2,1H3
InChIKeyISORQRAAJRSZGC-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.83
Rot. Bonds3

About 2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 102707574) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID102707574
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCc1ccc(CC(=O)c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO/c1-10-2-4-11(5-3-10)8-14(20)12-9-19-7-6-13(12)15(16,17)18/h2-7,9H,8H2,1H3
InChIKeyISORQRAAJRSZGC-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707640
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707552
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709433
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
3-amino-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-one
CID 102709471
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707642
2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 103168174
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (CID 102707574) is 2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is Cc1ccc(CC(=O)c2cnccc2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is ISORQRAAJRSZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-10-2-4-11(5-3-10)8-14(20)12-9-19-7-6-13(12)15(16,17)18/h2-7,9H,8H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 279.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 102707574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).