1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone

C16H12ClF3O — CID 114966354

IUPAC1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(Cl)cc1C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12ClF3O/c1-10-5-6-13(17)9-14(10)15(21)8-11-3-2-4-12(7-11)16(18,19)20/h2-7,9H,8H2,1H3
InChIKeyCSGDPAGNBKKCMJ-UHFFFAOYSA-N
MW312.72 g/mol
LogP5.09
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone

1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 114966354) has the molecular formula C16H12ClF3O and a molecular weight of 312.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID114966354
Molecular FormulaC16H12ClF3O
Molecular Weight312.72 g/mol
Exact Mass312.05
IUPAC Name1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(Cl)cc1C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12ClF3O/c1-10-5-6-13(17)9-14(10)15(21)8-11-3-2-4-12(7-11)16(18,19)20/h2-7,9H,8H2,1H3
InChIKeyCSGDPAGNBKKCMJ-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.72
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966371
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966373
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966275
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
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
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone
CID 62505296

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 114966354) is 1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(Cl)cc1C(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is CSGDPAGNBKKCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3O/c1-10-5-6-13(17)9-14(10)15(21)8-11-3-2-4-12(7-11)16(18,19)20/h2-7,9H,8H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 312.72 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 114966354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).