1-(2,4-difluorophenyl)-2-methylbutan-1-one

C11H12F2O — CID 43160006

IUPAC1-(2,4-difluorophenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3
InChIKeyFDNCJYVDAUVDAM-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.19
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-methylbutan-1-one

1-(2,4-difluorophenyl)-2-methylbutan-1-one (PubChem CID 43160006) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methylbutan-1-one
PubChem CID43160006
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name1-(2,4-difluorophenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3
InChIKeyFDNCJYVDAUVDAM-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-difluorophenyl)-2-methylbutan-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-(2-amino-4-fluorophenyl)-2-methylbutan-1-one
CID 66999008
1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylbutan-1-one
CID 123240524
2-chloro-1-(2,4-difluorophenyl)butan-1-one
CID 130136877
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795408
1-(2-fluoro-4-methylphenyl)-2-methylpentan-1-one
CID 107891346
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-1-one
CID 18795518
2-(2,4-difluorobenzoyl)propanedioic acid
CID 19379743

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methylbutan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methylbutan-1-one (CID 43160006) is 1-(2,4-difluorophenyl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methylbutan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methylbutan-1-one is CCC(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methylbutan-1-one?
The InChIKey is FDNCJYVDAUVDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-methylbutan-1-one?
1-(2,4-difluorophenyl)-2-methylbutan-1-one has a molecular weight of 198.21 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methylbutan-1-one is sourced from PubChem (CID 43160006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).