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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Related Compounds

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-pyridin-4-ylpyrrolidine-3,4-diol
CID 177365026
5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one
CID 123672496
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-thiophen-2-ylpyrrolidine-3,4-diol
CID 10514933
2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
CID 73001219
2-(4-fluorophenyl)-3-methylaziridine
CID 71437972
(3S,4R,5R)-2-benzyl-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 163609613
[3-(4-fluorophenyl)-4-methyl-1,2-oxazolidin-5-yl]methanol
CID 139641920
(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 101183405
[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol
CID 119084986
(3R,4S)-4-phenylazetidine-2,3-diol
CID 143371351
[2,2-difluoro-3-(4-fluorophenyl)cyclopropyl]methanol
CID 126845026
3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide
CID 53424358

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).