[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol

C13H18FNO2 — CID 78942355

IUPAC[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCOc1ccccc1F
InChIInChI=1S/C13H18FNO2/c14-12-5-1-2-6-13(12)17-9-8-15-7-3-4-11(15)10-16/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1
InChIKeyQMPCDKHEXZEKKN-NSHDSACASA-N
MW239.29 g/mol
LogP1.66
Rot. Bonds5

About [(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol

[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 78942355) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol
PubChem CID78942355
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCOc1ccccc1F
InChIInChI=1S/C13H18FNO2/c14-12-5-1-2-6-13(12)17-9-8-15-7-3-4-11(15)10-16/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1
InChIKeyQMPCDKHEXZEKKN-NSHDSACASA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111753162
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
2-[2-[2-(hydroxymethyl)azepan-1-yl]ethoxy]benzonitrile
CID 116634750
[(2R)-1-(2-pyridin-2-yloxyethyl)pyrrolidin-2-yl]methanol
CID 136585328
1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307713
2-[2-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]phenyl]acetic acid
CID 54464897
(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95609795
1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95311251
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
2,2,2-trifluoroacetic acid;[(2S)-1-[3-[2-(trifluoromethyl)phenoxy]propyl]pyrrolidin-2-yl]methanol
CID 174697485
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol (CID 78942355) is [(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CCOc1ccccc1F.
What is the InChIKey of [(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is QMPCDKHEXZEKKN-NSHDSACASA-N. The full InChI is InChI=1S/C13H18FNO2/c14-12-5-1-2-6-13(12)17-9-8-15-7-3-4-11(15)10-16/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1.
What are the key properties of [(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 239.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 78942355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).