5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol

C11H14FNO2 — CID 143961477

IUPAC5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1(O)CNC(c2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO2/c12-9-3-1-2-8(4-9)10-5-11(15,7-14)6-13-10/h1-4,10,13-15H,5-7H2
InChIKeyHDLKGKDIJZDWJB-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.58
Rot. Bonds2

About 5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol

5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 143961477) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID143961477
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1(O)CNC(c2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO2/c12-9-3-1-2-8(4-9)10-5-11(15,7-14)6-13-10/h1-4,10,13-15H,5-7H2
InChIKeyHDLKGKDIJZDWJB-UHFFFAOYSA-N
XLogP0.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(3-fluorophenyl)piperidin-3-yl]methanol
CID 105463010
6-(3-fluorophenyl)-2,2-dimethylpiperazine
CID 82395314
(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 67330070
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol
CID 84720458
1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 152624369
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
[5-(3-fluorophenyl)piperidin-2-yl]methanol
CID 117000449
4,4-difluoro-2-(3-methylphenyl)pyrrolidine
CID 84720826
2-(3-bromophenyl)-4,4-difluoropyrrolidine
CID 84729618
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
[2-(3-fluorophenyl)cyclopropyl]methanol
CID 53275735

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol (CID 143961477) is 5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol is OCC1(O)CNC(c2cccc(F)c2)C1.
What is the InChIKey of 5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is HDLKGKDIJZDWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-3-1-2-8(4-9)10-5-11(15,7-14)6-13-10/h1-4,10,13-15H,5-7H2.
What are the key properties of 5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol?
5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 211.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 143961477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).