1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol

C10H13FN2O2 — CID 106667409

IUPAC1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol
SMILESNc1cc(F)ccc1N1CC(O)C(O)C1
InChIInChI=1S/C10H13FN2O2/c11-6-1-2-8(7(12)3-6)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5,12H2
InChIKeyXYHRTBDJSGURQY-UHFFFAOYSA-N
MW212.22 g/mol
LogP-0.05
Rot. Bonds1

About 1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol

1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol (PubChem CID 106667409) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol
PubChem CID106667409
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol
SMILESNc1cc(F)ccc1N1CC(O)C(O)C1
InChIInChI=1S/C10H13FN2O2/c11-6-1-2-8(7(12)3-6)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5,12H2
InChIKeyXYHRTBDJSGURQY-UHFFFAOYSA-N
XLogP-0.05
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol (CID 106667409) is 1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol is Nc1cc(F)ccc1N1CC(O)C(O)C1.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol?
The InChIKey is XYHRTBDJSGURQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-6-1-2-8(7(12)3-6)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5,12H2.
What are the key properties of 1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol?
1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol has a molecular weight of 212.22 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106667409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).