[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol

C12H16FNO2 — CID 112626287

IUPAC[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
SMILESOCc1ccc(N2CCC(CO)C2)c(F)c1
InChIInChI=1S/C12H16FNO2/c13-11-5-9(7-15)1-2-12(11)14-4-3-10(6-14)8-16/h1-2,5,10,15-16H,3-4,6-8H2
InChIKeyYCFDBHSDZIQZCQ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.14
Rot. Bonds3

About [1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol

[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol (PubChem CID 112626287) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
PubChem CID112626287
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
SMILESOCc1ccc(N2CCC(CO)C2)c(F)c1
InChIInChI=1S/C12H16FNO2/c13-11-5-9(7-15)1-2-12(11)14-4-3-10(6-14)8-16/h1-2,5,10,15-16H,3-4,6-8H2
InChIKeyYCFDBHSDZIQZCQ-UHFFFAOYSA-N
XLogP1.14
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol (CID 112626287) is [1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol is OCc1ccc(N2CCC(CO)C2)c(F)c1.
What is the InChIKey of [1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol?
The InChIKey is YCFDBHSDZIQZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-5-9(7-15)1-2-12(11)14-4-3-10(6-14)8-16/h1-2,5,10,15-16H,3-4,6-8H2.
What are the key properties of [1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol?
[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol has a molecular weight of 225.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112626287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).