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

C11H12F2O2S — CID 64703683

IUPAC4-(2,4-difluorophenyl)sulfinylpentan-2-one
SMILESCC(=O)CC(C)S(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O2S/c1-7(14)5-8(2)16(15)11-4-3-9(12)6-10(11)13/h3-4,6,8H,5H2,1-2H3
InChIKeyCZCJWPZCVXVPCC-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.44
Rot. Bonds4

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

4-(2,4-difluorophenyl)sulfinylpentan-2-one (PubChem CID 64703683) has the molecular formula C11H12F2O2S and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfinylpentan-2-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfinylpentan-2-one
PubChem CID64703683
Molecular FormulaC11H12F2O2S
Molecular Weight246.28 g/mol
Exact Mass246.05
IUPAC Name4-(2,4-difluorophenyl)sulfinylpentan-2-one
SMILESCC(=O)CC(C)S(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O2S/c1-7(14)5-8(2)16(15)11-4-3-9(12)6-10(11)13/h3-4,6,8H,5H2,1-2H3
InChIKeyCZCJWPZCVXVPCC-UHFFFAOYSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)sulfinylpropan-2-one
CID 64641314
4-(2,5-dichlorophenyl)sulfinylpentan-2-one
CID 64702900
3-(2,4-difluorophenyl)sulfinylpentan-1-amine
CID 81328351
3-(2,5-difluorophenyl)sulfinylbutanenitrile
CID 64691751
5-(2,4-difluorophenyl)sulfinylpentan-2-amine
CID 64652840
5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline
CID 81186024
2,4-difluoro-N-methylbenzenesulfinamide
CID 142228854
6-(2,4-difluorophenyl)sulfinylhexan-3-one
CID 106808610
1-(2,5-difluorophenyl)sulfinyl-3-methylbutan-2-one
CID 79392957
1-(4-fluorophenyl)-2-methylpentane-1,4-dione
CID 64720461
3-(2,4-difluorophenyl)sulfonylbutanoic acid
CID 43536511
4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one
CID 116606369

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfinylpentan-2-one?
The IUPAC name of 4-(2,4-difluorophenyl)sulfinylpentan-2-one (CID 64703683) is 4-(2,4-difluorophenyl)sulfinylpentan-2-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfinylpentan-2-one?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfinylpentan-2-one is CC(=O)CC(C)S(=O)c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfinylpentan-2-one?
The InChIKey is CZCJWPZCVXVPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2S/c1-7(14)5-8(2)16(15)11-4-3-9(12)6-10(11)13/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)sulfinylpentan-2-one?
4-(2,4-difluorophenyl)sulfinylpentan-2-one has a molecular weight of 246.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfinylpentan-2-one is sourced from PubChem (CID 64703683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).