2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone

C15H11ClF2O — CID 114012654

IUPAC2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C15H11ClF2O/c1-9-3-2-4-11(15(9)18)14(19)8-10-5-6-12(16)13(17)7-10/h2-7H,8H2,1H3
InChIKeyNPTWUPCYNBJSQE-UHFFFAOYSA-N
MW280.70 g/mol
LogP4.35
Rot. Bonds3

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

2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone (PubChem CID 114012654) has the molecular formula C15H11ClF2O and a molecular weight of 280.70 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
PubChem CID114012654
Molecular FormulaC15H11ClF2O
Molecular Weight280.70 g/mol
Exact Mass280.05
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C15H11ClF2O/c1-9-3-2-4-11(15(9)18)14(19)8-10-5-6-12(16)13(17)7-10/h2-7H,8H2,1H3
InChIKeyNPTWUPCYNBJSQE-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890805
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone
CID 107890839
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 114023890
1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116597538
2-(4-chloro-3-fluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 107890399
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
CID 114026090
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone (CID 114012654) is 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone is Cc1cccc(C(=O)Cc2ccc(Cl)c(F)c2)c1F.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone?
The InChIKey is NPTWUPCYNBJSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O/c1-9-3-2-4-11(15(9)18)14(19)8-10-5-6-12(16)13(17)7-10/h2-7H,8H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone?
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone has a molecular weight of 280.70 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 114012654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).