2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol

C13H18FNO2 — CID 116860302

IUPAC2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESCOc1ccc(F)cc1C(CO)N1CCCC1
InChIInChI=1S/C13H18FNO2/c1-17-13-5-4-10(14)8-11(13)12(9-16)15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3
InChIKeyADJUOTNIRJWQQE-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.96
Rot. Bonds4

About 2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol

2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 116860302) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
PubChem CID116860302
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESCOc1ccc(F)cc1C(CO)N1CCCC1
InChIInChI=1S/C13H18FNO2/c1-17-13-5-4-10(14)8-11(13)12(9-16)15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3
InChIKeyADJUOTNIRJWQQE-UHFFFAOYSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 116860316
2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
CID 54775718
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82771554
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171170121
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171164790
(3R)-3-(5-fluoro-2-methoxyphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306811
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol (CID 116860302) is 2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol is COc1ccc(F)cc1C(CO)N1CCCC1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is ADJUOTNIRJWQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-13-5-4-10(14)8-11(13)12(9-16)15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 239.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 116860302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).