6-(2,4-difluorophenyl)sulfinylhexan-3-one

C12H14F2O2S — CID 106808610

IUPAC6-(2,4-difluorophenyl)sulfinylhexan-3-one
SMILESCCC(=O)CCCS(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2O2S/c1-2-10(15)4-3-7-17(16)12-6-5-9(13)8-11(12)14/h5-6,8H,2-4,7H2,1H3
InChIKeyWQQHXZAQVQMZSP-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.83
Rot. Bonds6

About 6-(2,4-difluorophenyl)sulfinylhexan-3-one

6-(2,4-difluorophenyl)sulfinylhexan-3-one (PubChem CID 106808610) has the molecular formula C12H14F2O2S and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfinylhexan-3-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfinylhexan-3-one
PubChem CID106808610
Molecular FormulaC12H14F2O2S
Molecular Weight260.30 g/mol
Exact Mass260.07
IUPAC Name6-(2,4-difluorophenyl)sulfinylhexan-3-one
SMILESCCC(=O)CCCS(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2O2S/c1-2-10(15)4-3-7-17(16)12-6-5-9(13)8-11(12)14/h5-6,8H,2-4,7H2,1H3
InChIKeyWQQHXZAQVQMZSP-UHFFFAOYSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(2,4-difluorophenyl)sulfinylhexan-3-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-(2,4-difluorophenyl)sulfinylpropan-2-one
CID 64641314
5-(2,4-difluorophenyl)sulfinylpentan-2-amine
CID 64652840
5-(2,4-difluorophenyl)sulfinyl-2,2-dimethylpentanenitrile
CID 65262989
4-(4-amino-2-fluorophenyl)sulfinyl-N,N-dimethylbutanamide
CID 81193147
6-(4-methylphenyl)sulfinylhexan-3-one
CID 106808592
5-(2,5-difluorophenyl)sulfinylpentanoic acid
CID 61303969
6-(3,4-dimethylphenyl)sulfinylhexan-3-one
CID 106808594
4-[3-(2,4-difluorophenyl)sulfinylpropoxy]aniline
CID 61287414
N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
CID 81329251
1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one
CID 64639503
1-(2,5-difluorophenyl)sulfinylpentan-2-one
CID 64638329
4-[2-(2,4-difluorophenyl)sulfinylethyl]aniline
CID 61288023

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfinylhexan-3-one?
The IUPAC name of 6-(2,4-difluorophenyl)sulfinylhexan-3-one (CID 106808610) is 6-(2,4-difluorophenyl)sulfinylhexan-3-one.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfinylhexan-3-one?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfinylhexan-3-one is CCC(=O)CCCS(=O)c1ccc(F)cc1F.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfinylhexan-3-one?
The InChIKey is WQQHXZAQVQMZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2S/c1-2-10(15)4-3-7-17(16)12-6-5-9(13)8-11(12)14/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 6-(2,4-difluorophenyl)sulfinylhexan-3-one?
6-(2,4-difluorophenyl)sulfinylhexan-3-one has a molecular weight of 260.30 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfinylhexan-3-one is sourced from PubChem (CID 106808610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).