2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone

C15H10ClF3O — CID 107512602

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(F)cc2Cl)c(F)c1F
InChIInChI=1S/C15H10ClF3O/c1-8-2-5-11(15(19)14(8)18)13(20)6-9-3-4-10(17)7-12(9)16/h2-5,7H,6H2,1H3
InChIKeyVWZXFPNUOJRZQX-UHFFFAOYSA-N
MW298.69 g/mol
LogP4.49
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone (PubChem CID 107512602) has the molecular formula C15H10ClF3O and a molecular weight of 298.69 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
PubChem CID107512602
Molecular FormulaC15H10ClF3O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(F)cc2Cl)c(F)c1F
InChIInChI=1S/C15H10ClF3O/c1-8-2-5-11(15(19)14(8)18)13(20)6-9-3-4-10(17)7-12(9)16/h2-5,7H,6H2,1H3
InChIKeyVWZXFPNUOJRZQX-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

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 106865501
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
2-(2,6-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 55187917
1-(4-tert-butylphenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63410452
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone (CID 107512602) is 2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2ccc(F)cc2Cl)c(F)c1F.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone?
The InChIKey is VWZXFPNUOJRZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O/c1-8-2-5-11(15(19)14(8)18)13(20)6-9-3-4-10(17)7-12(9)16/h2-5,7H,6H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)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-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 107512602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).