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

C15H12F2O — CID 54959513

IUPAC2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H12F2O/c1-10-3-2-4-12(5-10)15(18)8-11-6-13(16)9-14(17)7-11/h2-7,9H,8H2,1H3
InChIKeyBLHDZKFLPUHZSR-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.70
Rot. Bonds3

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

2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone (PubChem CID 54959513) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
PubChem CID54959513
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H12F2O/c1-10-3-2-4-12(5-10)15(18)8-11-6-13(16)9-14(17)7-11/h2-7,9H,8H2,1H3
InChIKeyBLHDZKFLPUHZSR-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone
CID 58337531
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
1-(3-methylphenyl)butan-1-one
CID 4304992
2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
CID 58091102
2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone
CID 18386065
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
1-(3-methylphenyl)-3-sulfanylpropan-1-one
CID 116830819
2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 105412231

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone (CID 54959513) is 2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)Cc2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone?
The InChIKey is BLHDZKFLPUHZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-10-3-2-4-12(5-10)15(18)8-11-6-13(16)9-14(17)7-11/h2-7,9H,8H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone?
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone has a molecular weight of 246.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 54959513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).