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

C15H11ClF2O — CID 115812505

IUPAC1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H11ClF2O/c1-9-7-11(17)6-5-10(9)8-14(19)12-3-2-4-13(18)15(12)16/h2-7H,8H2,1H3
InChIKeyDDLIXCSFBPXXIH-UHFFFAOYSA-N
MW280.70 g/mol
LogP4.35
Rot. Bonds3

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

1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 115812505) has the molecular formula C15H11ClF2O and a molecular weight of 280.70 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
PubChem CID115812505
Molecular FormulaC15H11ClF2O
Molecular Weight280.70 g/mol
Exact Mass280.05
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H11ClF2O/c1-9-7-11(17)6-5-10(9)8-14(19)12-3-2-4-13(18)15(12)16/h2-7H,8H2,1H3
InChIKeyDDLIXCSFBPXXIH-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-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812770
1-(2-ethylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812520
2-(2-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 112653310
(2-chloro-3-fluorophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 112694145
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone
CID 115801799
1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
CID 81453841
2-(5-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethanone
CID 105373215
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114905857
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812715

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone (CID 115812505) is 1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone is Cc1cc(F)ccc1CC(=O)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is DDLIXCSFBPXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O/c1-9-7-11(17)6-5-10(9)8-14(19)12-3-2-4-13(18)15(12)16/h2-7H,8H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone?
1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-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 1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 115812505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).