2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone

C15H10ClF3O — CID 106865501

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(F)c(F)c2F)c(Cl)c1
InChIInChI=1S/C15H10ClF3O/c1-8-2-3-9(11(16)6-8)7-13(20)10-4-5-12(17)15(19)14(10)18/h2-6H,7H2,1H3
InChIKeyYSBIXFZMQFQHAZ-UHFFFAOYSA-N
MW298.69 g/mol
LogP4.49
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone

2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone (PubChem CID 106865501) has the molecular formula C15H10ClF3O and a molecular weight of 298.69 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
PubChem CID106865501
Molecular FormulaC15H10ClF3O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(F)c(F)c2F)c(Cl)c1
InChIInChI=1S/C15H10ClF3O/c1-8-2-3-9(11(16)6-8)7-13(20)10-4-5-12(17)15(19)14(10)18/h2-6H,7H2,1H3
InChIKeyYSBIXFZMQFQHAZ-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107512602
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106865458
2-(2-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 62516230
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 112655384
2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964096
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397
2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963933
2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 106867165
2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone (CID 106865501) is 2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone is Cc1ccc(CC(=O)c2ccc(F)c(F)c2F)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The InChIKey is YSBIXFZMQFQHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O/c1-8-2-3-9(11(16)6-8)7-13(20)10-4-5-12(17)15(19)14(10)18/h2-6H,7H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone?
2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone has a molecular weight of 298.69 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone is sourced from PubChem (CID 106865501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).