[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol

C13H18FNOS — CID 55064369

IUPAC[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCSc2ccccc2F)C1
InChIInChI=1S/C13H18FNOS/c14-12-3-1-2-4-13(12)17-8-7-15-6-5-11(9-15)10-16/h1-4,11,16H,5-10H2
InChIKeyAQVNDBHQYOBLIR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.23
Rot. Bonds5

About [1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol

[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol (PubChem CID 55064369) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol
PubChem CID55064369
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCSc2ccccc2F)C1
InChIInChI=1S/C13H18FNOS/c14-12-3-1-2-4-13(12)17-8-7-15-6-5-11(9-15)10-16/h1-4,11,16H,5-10H2
InChIKeyAQVNDBHQYOBLIR-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 11817903
1-[(4-Fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68571124
(3R)-1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68603034
3-(4-Fluorophenyl)sulfanyl-1-[methyl(3-propylsulfanylpropyl)amino]propan-1-ol
CID 70388863
2-(benzenesulfonyl)-1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol
CID 123416909
(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
3-(Dimethylamino)-1-(4-fluorophenyl)sulfanylpropan-1-ol
CID 20572808
[1-[2-(2-Fluorophenyl)sulfanylethyl]piperidin-4-yl]methanol
CID 53535173
2-[1-[2-(4-Fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol
CID 55064382
2-[1-[2-(2-Fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol
CID 55064762

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol (CID 55064369) is [1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol is OCC1CCN(CCSc2ccccc2F)C1.
What is the InChIKey of [1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol?
The InChIKey is AQVNDBHQYOBLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-12-3-1-2-4-13(12)17-8-7-15-6-5-11(9-15)10-16/h1-4,11,16H,5-10H2.
What are the key properties of [1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol?
[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol has a molecular weight of 255.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 55064369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).