2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone

C15H9Cl2F3O — CID 88827170

IUPAC2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(c1ccc(Cl)cc1)C(Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9Cl2F3O/c16-12-7-3-10(4-8-12)14(21)13(17)9-1-5-11(6-2-9)15(18,19)20/h1-8,13H
InChIKeyOZKHEYGPAINFHT-UHFFFAOYSA-N
MW333.14 g/mol
LogP5.52
Rot. Bonds3

About 2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone

2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 88827170) has the molecular formula C15H9Cl2F3O and a molecular weight of 333.14 g/mol. Its IUPAC name is 2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID88827170
Molecular FormulaC15H9Cl2F3O
Molecular Weight333.14 g/mol
Exact Mass332.00
IUPAC Name2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(c1ccc(Cl)cc1)C(Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9Cl2F3O/c16-12-7-3-10(4-8-12)14(21)13(17)9-1-5-11(6-2-9)15(18,19)20/h1-8,13H
InChIKeyOZKHEYGPAINFHT-UHFFFAOYSA-N
XLogP5.52
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 ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 118130022
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
2-bromo-2-chloro-1-[4-(trifluoromethyl)phenyl]ethanone
CID 155932133
2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 82875870
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
CID 93494356
(2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one
CID 164684484
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one
CID 151410924
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 2781337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 88827170) is 2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(c1ccc(Cl)cc1)C(Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is OZKHEYGPAINFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3O/c16-12-7-3-10(4-8-12)14(21)13(17)9-1-5-11(6-2-9)15(18,19)20/h1-8,13H.
What are the key properties of 2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 333.14 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 88827170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).