2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

C11H14FNO3 — CID 53427193

IUPAC2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOCC1NC(c2ccc(F)cc2)C(O)C1O
InChIInChI=1S/C11H14FNO3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5H2
InChIKeyFZVTZGQSANIFFP-UHFFFAOYSA-N
MW227.23 g/mol
LogP-0.45
Rot. Bonds2

About 2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 53427193) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID53427193
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOCC1NC(c2ccc(F)cc2)C(O)C1O
InChIInChI=1S/C11H14FNO3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5H2
InChIKeyFZVTZGQSANIFFP-UHFFFAOYSA-N
XLogP-0.45
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of 2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol (CID 53427193) is 2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for 2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is OCC1NC(c2ccc(F)cc2)C(O)C1O.
What is the InChIKey of 2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is FZVTZGQSANIFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5H2.
What are the key properties of 2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 227.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 53427193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).