1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one

C17H16F2O — CID 24726261

IUPAC1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2ccc(F)cc2F)c1C
InChIInChI=1S/C17H16F2O/c1-11-4-3-5-13(12(11)2)6-9-17(20)15-8-7-14(18)10-16(15)19/h3-5,7-8,10H,6,9H2,1-2H3
InChIKeyNUFVDJCNAWVJRS-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.40
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one

1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one (PubChem CID 24726261) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
PubChem CID24726261
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2ccc(F)cc2F)c1C
InChIInChI=1S/C17H16F2O/c1-11-4-3-5-13(12(11)2)6-9-17(20)15-8-7-14(18)10-16(15)19/h3-5,7-8,10H,6,9H2,1-2H3
InChIKeyNUFVDJCNAWVJRS-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
CID 24726252
1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726367
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one
CID 24726242
1-(2,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726641
3-(2-methylphenyl)-1-(2,3,4-trifluorophenyl)propan-1-one
CID 105099017
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682
1-(2,4-difluorophenyl)-4-phenylbutan-1-one
CID 63084036
2-(2-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 112653310
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one (CID 24726261) is 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one is Cc1cccc(CCC(=O)c2ccc(F)cc2F)c1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one?
The InChIKey is NUFVDJCNAWVJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-11-4-3-5-13(12(11)2)6-9-17(20)15-8-7-14(18)10-16(15)19/h3-5,7-8,10H,6,9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one?
1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one has a molecular weight of 274.31 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).