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

C9H8F2O2S — CID 64641314

IUPAC1-(2,4-difluorophenyl)sulfinylpropan-2-one
SMILESCC(=O)CS(=O)c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2S/c1-6(12)5-14(13)9-3-2-7(10)4-8(9)11/h2-4H,5H2,1H3
InChIKeyXTOJBBQIVTTZMD-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.66
Rot. Bonds3

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

1-(2,4-difluorophenyl)sulfinylpropan-2-one (PubChem CID 64641314) has the molecular formula C9H8F2O2S and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfinylpropan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfinylpropan-2-one
PubChem CID64641314
Molecular FormulaC9H8F2O2S
Molecular Weight218.22 g/mol
Exact Mass218.02
IUPAC Name1-(2,4-difluorophenyl)sulfinylpropan-2-one
SMILESCC(=O)CS(=O)c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2S/c1-6(12)5-14(13)9-3-2-7(10)4-8(9)11/h2-4H,5H2,1H3
InChIKeyXTOJBBQIVTTZMD-UHFFFAOYSA-N
XLogP1.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one
CID 64639503
N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
CID 81329251
4-(2,4-difluorophenyl)sulfinylpentan-2-one
CID 64703683
1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone
CID 64640302
6-(2,4-difluorophenyl)sulfinylhexan-3-one
CID 106808610
1-(2,5-difluorophenyl)sulfinylpentan-2-one
CID 64638329
1-(2,5-difluorophenyl)sulfinyl-3-methylbutan-2-one
CID 79392957
5-[(2,4-difluorophenyl)sulfinylmethyl]-2-methylfuran-3-carboxylic acid
CID 61301976
5-(2,4-difluorophenyl)sulfinylpentan-2-amine
CID 64652840
2,4-difluoro-N-methylbenzenesulfinamide
CID 142228854
2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64640534
4-[(2,4-difluorophenyl)sulfinylmethyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499930

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfinylpropan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)sulfinylpropan-2-one (CID 64641314) is 1-(2,4-difluorophenyl)sulfinylpropan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfinylpropan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfinylpropan-2-one is CC(=O)CS(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfinylpropan-2-one?
The InChIKey is XTOJBBQIVTTZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2S/c1-6(12)5-14(13)9-3-2-7(10)4-8(9)11/h2-4H,5H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfinylpropan-2-one?
1-(2,4-difluorophenyl)sulfinylpropan-2-one has a molecular weight of 218.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfinylpropan-2-one is sourced from PubChem (CID 64641314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).