1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone

C15H12F2O — CID 68833018

IUPAC1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone
SMILESCC(=O)c1cccc(C)c1-c1cccc(F)c1F
InChIInChI=1S/C15H12F2O/c1-9-5-3-6-11(10(2)18)14(9)12-7-4-8-13(16)15(12)17/h3-8H,1-2H3
InChIKeyHQDAYNQRIHYHMN-UHFFFAOYSA-N
MW246.26 g/mol
LogP4.14
Rot. Bonds2

About 1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone

1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone (PubChem CID 68833018) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone
PubChem CID68833018
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone
SMILESCC(=O)c1cccc(C)c1-c1cccc(F)c1F
InChIInChI=1S/C15H12F2O/c1-9-5-3-6-11(10(2)18)14(9)12-7-4-8-13(16)15(12)17/h3-8H,1-2H3
InChIKeyHQDAYNQRIHYHMN-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
CID 134620923
2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene
CID 118843388
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
1-[2-(4-fluoro-2-methylphenyl)phenyl]ethanone
CID 54912608
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
ethyl 2,3-difluorobenzoate
CID 2761174
2-acetyl-6-fluorobenzenesulfonamide
CID 130511417
ethane;1-(2-methylphenyl)ethanone
CID 91374073

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone?
The IUPAC name of 1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone (CID 68833018) is 1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone?
The canonical SMILES for 1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone is CC(=O)c1cccc(C)c1-c1cccc(F)c1F.
What is the InChIKey of 1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone?
The InChIKey is HQDAYNQRIHYHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-9-5-3-6-11(10(2)18)14(9)12-7-4-8-13(16)15(12)17/h3-8H,1-2H3.
What are the key properties of 1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone?
1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone has a molecular weight of 246.26 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone is sourced from PubChem (CID 68833018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).