[3-(benzenesulfinyl)-3-fluoropropyl]benzene

C15H15FOS — CID 13415037

IUPAC[3-(benzenesulfinyl)-3-fluoropropyl]benzene
SMILESO=S(c1ccccc1)C(F)CCc1ccccc1
InChIInChI=1S/C15H15FOS/c16-15(12-11-13-7-3-1-4-8-13)18(17)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyUBBHXKPZIAQSTJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.72
Rot. Bonds5

About [3-(benzenesulfinyl)-3-fluoropropyl]benzene

[3-(benzenesulfinyl)-3-fluoropropyl]benzene (PubChem CID 13415037) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-(benzenesulfinyl)-3-fluoropropyl]benzene.

Molecular Properties

Compound Name[3-(benzenesulfinyl)-3-fluoropropyl]benzene
PubChem CID13415037
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name[3-(benzenesulfinyl)-3-fluoropropyl]benzene
SMILESO=S(c1ccccc1)C(F)CCc1ccccc1
InChIInChI=1S/C15H15FOS/c16-15(12-11-13-7-3-1-4-8-13)18(17)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyUBBHXKPZIAQSTJ-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluorobutylsulfinylbenzene
CID 10954577
[(3S)-3-bromo-3-fluoropropyl]benzene
CID 129394816
5-hydroxy-7-phenylheptane-3-sulfinate
CID 174656358
(2S,3S)-1,1,1-trifluoro-5-(4-methoxyphenyl)-3-[(S)-phenylsulfinyl]pentan-2-ol
CID 11864701
(2S)-2-benzyl-4-phenylbutanal
CID 58416977
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
1,4-diphenylbutan-2-amine
CID 60820174
benzene;2-phenylethylbenzene
CID 18982764
N,2-dihydroxy-4-phenylbutanamide
CID 11458241
(4-phenylbutan-2-ylamino) thiohypofluorite
CID 138664614
3-(benzenesulfinyl)butan-1-amine
CID 81328702
N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide
CID 101420817

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfinyl)-3-fluoropropyl]benzene?
The IUPAC name of [3-(benzenesulfinyl)-3-fluoropropyl]benzene (CID 13415037) is [3-(benzenesulfinyl)-3-fluoropropyl]benzene.
What is the SMILES notation for [3-(benzenesulfinyl)-3-fluoropropyl]benzene?
The canonical SMILES for [3-(benzenesulfinyl)-3-fluoropropyl]benzene is O=S(c1ccccc1)C(F)CCc1ccccc1.
What is the InChIKey of [3-(benzenesulfinyl)-3-fluoropropyl]benzene?
The InChIKey is UBBHXKPZIAQSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c16-15(12-11-13-7-3-1-4-8-13)18(17)14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of [3-(benzenesulfinyl)-3-fluoropropyl]benzene?
[3-(benzenesulfinyl)-3-fluoropropyl]benzene has a molecular weight of 262.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfinyl)-3-fluoropropyl]benzene is sourced from PubChem (CID 13415037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).