1-fluoro-2-propylsulfinylbenzene

C9H11FOS — CID 64717305

IUPAC1-fluoro-2-propylsulfinylbenzene
SMILESCCCS(=O)c1ccccc1F
InChIInChI=1S/C9H11FOS/c1-2-7-12(11)9-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3
InChIKeyFBLJOYBZIKVNGV-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.34
Rot. Bonds3

About 1-fluoro-2-propylsulfinylbenzene

1-fluoro-2-propylsulfinylbenzene (PubChem CID 64717305) has the molecular formula C9H11FOS and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-fluoro-2-propylsulfinylbenzene.

Molecular Properties

Compound Name1-fluoro-2-propylsulfinylbenzene
PubChem CID64717305
Molecular FormulaC9H11FOS
Molecular Weight186.25 g/mol
Exact Mass186.05
IUPAC Name1-fluoro-2-propylsulfinylbenzene
SMILESCCCS(=O)c1ccccc1F
InChIInChI=1S/C9H11FOS/c1-2-7-12(11)9-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3
InChIKeyFBLJOYBZIKVNGV-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545
methyl 3-(2-fluorophenyl)sulfinylpropanoate
CID 61303739
1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole
CID 63791757
1-(2-fluorophenyl)sulfinylbutan-2-amine
CID 64658337
1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene
CID 103184357
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64657563
1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one
CID 82907588
1-(3-azidopropylsulfinyl)-2-fluorobenzene
CID 61396870
2-butylsulfinylphenol
CID 588406
2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline
CID 61302417
1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene
CID 63791578
2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 63791234

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-propylsulfinylbenzene?
The IUPAC name of 1-fluoro-2-propylsulfinylbenzene (CID 64717305) is 1-fluoro-2-propylsulfinylbenzene.
What is the SMILES notation for 1-fluoro-2-propylsulfinylbenzene?
The canonical SMILES for 1-fluoro-2-propylsulfinylbenzene is CCCS(=O)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-propylsulfinylbenzene?
The InChIKey is FBLJOYBZIKVNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FOS/c1-2-7-12(11)9-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3.
What are the key properties of 1-fluoro-2-propylsulfinylbenzene?
1-fluoro-2-propylsulfinylbenzene has a molecular weight of 186.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-propylsulfinylbenzene is sourced from PubChem (CID 64717305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).