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

C16H12F4O — CID 114966373

IUPAC1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C16H12F4O/c1-10-5-6-13(14(17)7-10)15(21)9-11-3-2-4-12(8-11)16(18,19)20/h2-8H,9H2,1H3
InChIKeyNPSMVZMWGYPJAF-UHFFFAOYSA-N
MW296.26 g/mol
LogP4.58
Rot. Bonds3

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

1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 114966373) has the molecular formula C16H12F4O and a molecular weight of 296.26 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID114966373
Molecular FormulaC16H12F4O
Molecular Weight296.26 g/mol
Exact Mass296.08
IUPAC Name1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C16H12F4O/c1-10-5-6-13(14(17)7-10)15(21)9-11-3-2-4-12(8-11)16(18,19)20/h2-8H,9H2,1H3
InChIKeyNPSMVZMWGYPJAF-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966354
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
1-(5-bromo-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966371
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574
1-(1,3-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 102802687
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369
2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102752332
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115786719
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 114966373) is 1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is NPSMVZMWGYPJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4O/c1-10-5-6-13(14(17)7-10)15(21)9-11-3-2-4-12(8-11)16(18,19)20/h2-8H,9H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 296.26 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 114966373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).