1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene

C11H15FO3S2 — CID 106732610

IUPAC1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene
SMILESCCCS(=O)(=O)CCS(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO3S2/c1-2-8-17(14,15)9-7-16(13)11-5-3-10(12)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeySOQJVFSCVGGVKL-UHFFFAOYSA-N
MW278.37 g/mol
LogP1.76
Rot. Bonds6

About 1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene

1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene (PubChem CID 106732610) has the molecular formula C11H15FO3S2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene
PubChem CID106732610
Molecular FormulaC11H15FO3S2
Molecular Weight278.37 g/mol
Exact Mass278.04
IUPAC Name1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene
SMILESCCCS(=O)(=O)CCS(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO3S2/c1-2-8-17(14,15)9-7-16(13)11-5-3-10(12)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeySOQJVFSCVGGVKL-UHFFFAOYSA-N
XLogP1.76
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine
CID 64659465
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
N-[(4-fluorophenyl)methyl]-2-propylsulfonylethanamine
CID 106723077
6-(4-fluorophenyl)sulfinylhexan-2-one
CID 64635188
1-propylsulfonylpropane
CID 11709
1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715017
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64657510
3-methoxy-4-(2-propylsulfonylethylsulfinyl)aniline
CID 106735800
4-[2-(4-fluorophenyl)sulfinylethyl]aniline
CID 61304596
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
2-(2-propylsulfonylethylsulfinyl)ethanamine
CID 106735657

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene?
The IUPAC name of 1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene (CID 106732610) is 1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene is CCCS(=O)(=O)CCS(=O)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene?
The InChIKey is SOQJVFSCVGGVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3S2/c1-2-8-17(14,15)9-7-16(13)11-5-3-10(12)4-6-11/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene?
1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene has a molecular weight of 278.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene is sourced from PubChem (CID 106732610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).