1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone

C15H11ClF2O — CID 105412246

IUPAC1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
SMILESCc1cc(Cl)cc(C(=O)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H11ClF2O/c1-9-2-11(7-12(16)3-9)15(19)6-10-4-13(17)8-14(18)5-10/h2-5,7-8H,6H2,1H3
InChIKeyGAMQFANGPQHBNH-UHFFFAOYSA-N
MW280.70 g/mol
LogP4.35
Rot. Bonds3

About 1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone

1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone (PubChem CID 105412246) has the molecular formula C15H11ClF2O and a molecular weight of 280.70 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
PubChem CID105412246
Molecular FormulaC15H11ClF2O
Molecular Weight280.70 g/mol
Exact Mass280.05
IUPAC Name1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
SMILESCc1cc(Cl)cc(C(=O)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H11ClF2O/c1-9-2-11(7-12(16)3-9)15(19)6-10-4-13(17)8-14(18)5-10/h2-5,7-8H,6H2,1H3
InChIKeyGAMQFANGPQHBNH-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-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412077
2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
CID 81323258
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974435
1-(3-chloro-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81324031
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 105412231
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone (CID 105412246) is 1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone is Cc1cc(Cl)cc(C(=O)Cc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone?
The InChIKey is GAMQFANGPQHBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O/c1-9-2-11(7-12(16)3-9)15(19)6-10-4-13(17)8-14(18)5-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone?
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)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-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 105412246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).