1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol

C11H14FNOS — CID 68571124

IUPAC1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
SMILESOC1CCN(CSc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNOS/c12-9-1-3-11(4-2-9)15-8-13-6-5-10(14)7-13/h1-4,10,14H,5-8H2
InChIKeyNKKBQLMDKVYCHO-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.94
Rot. Bonds3

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

1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol (PubChem CID 68571124) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
PubChem CID68571124
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
SMILESOC1CCN(CSc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNOS/c12-9-1-3-11(4-2-9)15-8-13-6-5-10(14)7-13/h1-4,10,14H,5-8H2
InChIKeyNKKBQLMDKVYCHO-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.94
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
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 11817903
(3R)-1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68603034
1-(4-Fluorophenyl)sulfanyl-3-[methyl(3-propylsulfanylpropyl)amino]propan-2-ol
CID 70388861
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140507732
(3S,4R)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140545345
5-(4-Fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol
CID 141399560
(3S,4R)-1-ethyl-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 145736769
[1-[2-(2-Fluorophenyl)sulfanylethyl]pyrrolidin-3-yl]methanol
CID 55064369
3-(3,4-Difluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 55130568
2-(2,4-Difluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55130767
2-(4-Fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55131919

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol (CID 68571124) is 1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol is OC1CCN(CSc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol?
The InChIKey is NKKBQLMDKVYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-9-1-3-11(4-2-9)15-8-13-6-5-10(14)7-13/h1-4,10,14H,5-8H2.
What are the key properties of 1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol?
1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol has a molecular weight of 227.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol is sourced from PubChem (CID 68571124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).