(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol

C11H14FNOS — CID 11817903

IUPAC(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1CSc1ccc(F)cc1
InChIInChI=1S/C11H14FNOS/c12-9-1-3-10(4-2-9)15-7-8-5-13-6-11(8)14/h1-4,8,11,13-14H,5-7H2/t8-,11+/m1/s1
InChIKeyHOOYBZSXBILYEQ-KCJUWKMLSA-N
MW227.30 g/mol
LogP1.50
Rot. Bonds3

About (3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol

(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol (PubChem CID 11817903) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is (3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
PubChem CID11817903
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1CSc1ccc(F)cc1
InChIInChI=1S/C11H14FNOS/c12-9-1-3-10(4-2-9)15-7-8-5-13-6-11(8)14/h1-4,8,11,13-14H,5-7H2/t8-,11+/m1/s1
InChIKeyHOOYBZSXBILYEQ-KCJUWKMLSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol
CID 66815369
1-[(4-Fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68571124
(3R)-1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68603034
(3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol
CID 134386684
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140507732
(3S,4R)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140545345
(3S,4R)-1-ethyl-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 145736769
(1S)-2-[(4-fluorophenyl)-dimethyl-lambda4-sulfanyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155010649
1-(Cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166334
1-(2-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
1-[(2-Fluorophenyl)thio]-3-(propylamino)-2-propanol
CID 43166336
1-(Ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166337

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol (CID 11817903) is (3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol is O[C@H]1CNC[C@@H]1CSc1ccc(F)cc1.
What is the InChIKey of (3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol?
The InChIKey is HOOYBZSXBILYEQ-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-9-1-3-10(4-2-9)15-7-8-5-13-6-11(8)14/h1-4,8,11,13-14H,5-7H2/t8-,11+/m1/s1.
What are the key properties of (3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol?
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol has a molecular weight of 227.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol is sourced from PubChem (CID 11817903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).