4-(2,4-difluorophenyl)butan-2-one

C10H10F2O — CID 62197971

IUPAC4-(2,4-difluorophenyl)butan-2-one
SMILESCC(=O)CCc1ccc(F)cc1F
InChIInChI=1S/C10H10F2O/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h4-6H,2-3H2,1H3
InChIKeyBEYSSUKUIDCBQF-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.49
Rot. Bonds3

About 4-(2,4-difluorophenyl)butan-2-one

4-(2,4-difluorophenyl)butan-2-one (PubChem CID 62197971) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)butan-2-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)butan-2-one
PubChem CID62197971
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name4-(2,4-difluorophenyl)butan-2-one
SMILESCC(=O)CCc1ccc(F)cc1F
InChIInChI=1S/C10H10F2O/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h4-6H,2-3H2,1H3
InChIKeyBEYSSUKUIDCBQF-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(2,4-difluorophenyl)butan-2-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

4-(2-fluoro-4-methylphenyl)butan-2-one
CID 83696261
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
3-(2,4-difluorophenyl)-N'-methylpropanehydrazide
CID 116846361
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 53417201
3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one
CID 99701699
N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195055
ethyl (E)-3-[5-fluoro-2-(3-oxobutyl)phenyl]prop-2-enoate
CID 24806982
4-[2-(2,5-difluorophenyl)ethylamino]butan-2-one
CID 115235909
2-chloro-N-[2-(2,4-difluorophenyl)ethyl]-N-methylacetamide
CID 115162195
4-[3-(2,4-difluorophenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 162632420

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)butan-2-one?
The IUPAC name of 4-(2,4-difluorophenyl)butan-2-one (CID 62197971) is 4-(2,4-difluorophenyl)butan-2-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)butan-2-one?
The canonical SMILES for 4-(2,4-difluorophenyl)butan-2-one is CC(=O)CCc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)butan-2-one?
The InChIKey is BEYSSUKUIDCBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h4-6H,2-3H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)butan-2-one?
4-(2,4-difluorophenyl)butan-2-one has a molecular weight of 184.19 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)butan-2-one is sourced from PubChem (CID 62197971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).