2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol

C11H14FNO2 — CID 83834988

IUPAC2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1ccc(C2NCCC2O)cc1F
InChIInChI=1S/C11H14FNO2/c1-15-10-3-2-7(6-8(10)12)11-9(14)4-5-13-11/h2-3,6,9,11,13-14H,4-5H2,1H3
InChIKeyDZVPNNZGGCETAD-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.23
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol

2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 83834988) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol
PubChem CID83834988
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1ccc(C2NCCC2O)cc1F
InChIInChI=1S/C11H14FNO2/c1-15-10-3-2-7(6-8(10)12)11-9(14)4-5-13-11/h2-3,6,9,11,13-14H,4-5H2,1H3
InChIKeyDZVPNNZGGCETAD-UHFFFAOYSA-N
XLogP1.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine
CID 82621572
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
5-(3-fluoro-4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693405
2-(3-fluoro-4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrimidine
CID 89475422
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol (CID 83834988) is 2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol is COc1ccc(C2NCCC2O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is DZVPNNZGGCETAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-15-10-3-2-7(6-8(10)12)11-9(14)4-5-13-11/h2-3,6,9,11,13-14H,4-5H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol?
2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 211.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 83834988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).