1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone

C15H11ClF2O — CID 81045028

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccccc2F)c(Cl)cc1F
InChIInChI=1S/C15H11ClF2O/c1-9-6-11(12(16)8-14(9)18)15(19)7-10-4-2-3-5-13(10)17/h2-6,8H,7H2,1H3
InChIKeyJSTRIOXCVPQEJD-UHFFFAOYSA-N
MW280.70 g/mol
LogP4.35
Rot. Bonds3

About 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone (PubChem CID 81045028) has the molecular formula C15H11ClF2O and a molecular weight of 280.70 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
PubChem CID81045028
Molecular FormulaC15H11ClF2O
Molecular Weight280.70 g/mol
Exact Mass280.05
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccccc2F)c(Cl)cc1F
InChIInChI=1S/C15H11ClF2O/c1-9-6-11(12(16)8-14(9)18)15(19)7-10-4-2-3-5-13(10)17/h2-6,8H,7H2,1H3
InChIKeyJSTRIOXCVPQEJD-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

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 81045569
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337245
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 65308220
2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803188
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
1-(2-chloro-5-fluoro-4-methylphenyl)-2-pyrimidin-2-ylethanone
CID 116833116
1-(2-chloro-4-fluoro-5-methylphenyl)hexan-1-one
CID 81044873
2-(2-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 62516230

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone (CID 81045028) is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone is Cc1cc(C(=O)Cc2ccccc2F)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone?
The InChIKey is JSTRIOXCVPQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O/c1-9-6-11(12(16)8-14(9)18)15(19)7-10-4-2-3-5-13(10)17/h2-6,8H,7H2,1H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone?
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)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 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 81045028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).