[(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol

C12H16FNO4S — CID 141310050

IUPAC[(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol
SMILESCS(=O)(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@H]1CO
InChIInChI=1S/C12H16FNO4S/c1-19(16,17)14-7-12(6-10(14)8-15)18-11-4-2-3-9(13)5-11/h2-5,10,12,15H,6-8H2,1H3/t10-,12-/m0/s1
InChIKeyYKWYWHUJGFPQIT-JQWIXIFHSA-N
MW289.33 g/mol
LogP0.60
Rot. Bonds4

About [(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol

[(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol (PubChem CID 141310050) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is [(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol
PubChem CID141310050
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name[(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol
SMILESCS(=O)(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@H]1CO
InChIInChI=1S/C12H16FNO4S/c1-19(16,17)14-7-12(6-10(14)8-15)18-11-4-2-3-9(13)5-11/h2-5,10,12,15H,6-8H2,1H3/t10-,12-/m0/s1
InChIKeyYKWYWHUJGFPQIT-JQWIXIFHSA-N
XLogP0.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
1-fluoro-3-(3-methylcyclobutyl)oxybenzene
CID 142422559
2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone
CID 166415195
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
1-(4-ethylcyclohexyl)oxy-3-fluorobenzene
CID 64766217
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
3-(3-fluorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66368118
[3-[(3S,5S)-5-(2-fluorophenyl)-1-methylsulfonylpiperidin-3-yl]oxyphenyl]methanamine
CID 168861415
(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 35097802
3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 83842692
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol (CID 141310050) is [(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol is CS(=O)(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol?
The InChIKey is YKWYWHUJGFPQIT-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-19(16,17)14-7-12(6-10(14)8-15)18-11-4-2-3-9(13)5-11/h2-5,10,12,15H,6-8H2,1H3/t10-,12-/m0/s1.
What are the key properties of [(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol has a molecular weight of 289.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(3-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 141310050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).