1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone

C15H9Cl2F3O — CID 114966350

IUPAC1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H9Cl2F3O/c16-12-6-10(7-13(17)8-12)14(21)5-9-2-1-3-11(4-9)15(18,19)20/h1-4,6-8H,5H2
InChIKeyZRSRWONUEVXOMT-UHFFFAOYSA-N
MW333.14 g/mol
LogP5.44
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone

1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 114966350) has the molecular formula C15H9Cl2F3O and a molecular weight of 333.14 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID114966350
Molecular FormulaC15H9Cl2F3O
Molecular Weight333.14 g/mol
Exact Mass332.00
IUPAC Name1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H9Cl2F3O/c16-12-6-10(7-13(17)8-12)14(21)5-9-2-1-3-11(4-9)15(18,19)20/h1-4,6-8H,5H2
InChIKeyZRSRWONUEVXOMT-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.14
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116581836
1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966354
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023
1-(3-amino-5-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116597104
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
3,5-dichloro-N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2766762
1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116601811
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 58145636
2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
CID 81323258

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 114966350) is 1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZRSRWONUEVXOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3O/c16-12-6-10(7-13(17)8-12)14(21)5-9-2-1-3-11(4-9)15(18,19)20/h1-4,6-8H,5H2.
What are the key properties of 1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 333.14 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 114966350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).