1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone

C15H12F3NO — CID 102752303

IUPAC1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)Cc1ccccn1
InChIInChI=1S/C15H12F3NO/c1-10-8-11(15(16,17)18)5-6-13(10)14(20)9-12-4-2-3-7-19-12/h2-8H,9H2,1H3
InChIKeyJFMTWJNKLYACOB-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.83
Rot. Bonds3

About 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone

1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone (PubChem CID 102752303) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
PubChem CID102752303
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)Cc1ccccn1
InChIInChI=1S/C15H12F3NO/c1-10-8-11(15(16,17)18)5-6-13(10)14(20)9-12-4-2-3-7-19-12/h2-8H,9H2,1H3
InChIKeyJFMTWJNKLYACOB-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

1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethanone
CID 102752411
2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102756784
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656
1-(4-tert-butyl-2-methylphenyl)-2-pyrimidin-4-ylethanone
CID 116832845
3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 105095584
4,4,4-trifluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-one
CID 102752652
2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102752332
3-chloro-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 175668332
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474
3-(methylamino)-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 102756704
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone (CID 102752303) is 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone is Cc1cc(C(F)(F)F)ccc1C(=O)Cc1ccccn1.
What is the InChIKey of 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone?
The InChIKey is JFMTWJNKLYACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-10-8-11(15(16,17)18)5-6-13(10)14(20)9-12-4-2-3-7-19-12/h2-8H,9H2,1H3.
What are the key properties of 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone?
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone 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 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 102752303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).