1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol

C12H16FNOS — CID 62916124

IUPAC1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol
SMILESOC1CCN(CCSc2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNOS/c13-10-1-3-12(4-2-10)16-8-7-14-6-5-11(15)9-14/h1-4,11,15H,5-9H2
InChIKeyCIBRWQIGVUFSFI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.98
Rot. Bonds4

About 1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol

1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol (PubChem CID 62916124) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol
PubChem CID62916124
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol
SMILESOC1CCN(CCSc2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNOS/c13-10-1-3-12(4-2-10)16-8-7-14-6-5-11(15)9-14/h1-4,11,15H,5-9H2
InChIKeyCIBRWQIGVUFSFI-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Azepan-1-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 70684266
1-(Azepan-1-yl)-3-phenylsulfanylpropan-2-ol
CID 70692715
3-(benzenesulfonyl)-1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 164639278
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 11817903
1-(2-Fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol
CID 54355213
1-[(4-Fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68571124
(3R)-1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68603034
1-(4-Fluorophenyl)sulfanyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol
CID 70388628
1-(4-Fluorophenyl)sulfanyl-3-[methyl(3-propylsulfanylpropyl)amino]propan-2-ol
CID 70388861
3-(4-Fluorophenyl)sulfanyl-1-[methyl(3-propylsulfanylpropyl)amino]propan-1-ol
CID 70388863
1-(4-Fluorophenyl)sulfinyl-3-[methyl(3-propylsulfinylpropyl)amino]propan-2-ol
CID 70389340
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140507732

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol (CID 62916124) is 1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol is OC1CCN(CCSc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol?
The InChIKey is CIBRWQIGVUFSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-10-1-3-12(4-2-10)16-8-7-14-6-5-11(15)9-14/h1-4,11,15H,5-9H2.
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol?
1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol has a molecular weight of 241.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol is sourced from PubChem (CID 62916124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).