(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol

C11H14FNO2 — CID 129411689

IUPAC(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1ccc(F)c(N2CC[C@H](O)C2)c1
InChIInChI=1S/C11H14FNO2/c1-15-9-2-3-10(12)11(6-9)13-5-4-8(14)7-13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyPDLFEXYOCKNZPI-QMMMGPOBSA-N
MW211.24 g/mol
LogP1.41
Rot. Bonds2

About (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol

(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 129411689) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
PubChem CID129411689
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1ccc(F)c(N2CC[C@H](O)C2)c1
InChIInChI=1S/C11H14FNO2/c1-15-9-2-3-10(12)11(6-9)13-5-4-8(14)7-13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyPDLFEXYOCKNZPI-QMMMGPOBSA-N
XLogP1.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-5-methoxyphenyl)piperidin-4-ol
CID 70198128
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine
CID 144629681
3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine
CID 141404874
1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50953364
(3R)-1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95122048
1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine
CID 142726683
2-(3-hydroxypiperidin-1-yl)-4-methoxybenzonitrile
CID 81299499
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
1-(5-ethoxy-2-fluorophenyl)-3-ethylpiperidin-4-ol
CID 90151780
1-(2,5-difluorophenyl)piperidin-4-ol
CID 141069702
methyl 2-amino-4-fluoro-5-(3-hydroxypyrrolidin-1-yl)benzoate
CID 55132720

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol (CID 129411689) is (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol is COc1ccc(F)c(N2CC[C@H](O)C2)c1.
What is the InChIKey of (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is PDLFEXYOCKNZPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-15-9-2-3-10(12)11(6-9)13-5-4-8(14)7-13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol?
(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 211.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129411689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).