(2-fluorophenyl) pyrrolidine-2-carboxylate

C11H12FNO2 — CID 82113158

IUPAC(2-fluorophenyl) pyrrolidine-2-carboxylate
SMILESO=C(Oc1ccccc1F)C1CCCN1
InChIInChI=1S/C11H12FNO2/c12-8-4-1-2-6-10(8)15-11(14)9-5-3-7-13-9/h1-2,4,6,9,13H,3,5,7H2
InChIKeyQRHMYUBDRMPICT-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.48
Rot. Bonds2

About (2-fluorophenyl) pyrrolidine-2-carboxylate

(2-fluorophenyl) pyrrolidine-2-carboxylate (PubChem CID 82113158) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (2-fluorophenyl) pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl) pyrrolidine-2-carboxylate
PubChem CID82113158
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(2-fluorophenyl) pyrrolidine-2-carboxylate
SMILESO=C(Oc1ccccc1F)C1CCCN1
InChIInChI=1S/C11H12FNO2/c12-8-4-1-2-6-10(8)15-11(14)9-5-3-7-13-9/h1-2,4,6,9,13H,3,5,7H2
InChIKeyQRHMYUBDRMPICT-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) pyrrolidine-2-carboxylate?
The IUPAC name of (2-fluorophenyl) pyrrolidine-2-carboxylate (CID 82113158) is (2-fluorophenyl) pyrrolidine-2-carboxylate.
What is the SMILES notation for (2-fluorophenyl) pyrrolidine-2-carboxylate?
The canonical SMILES for (2-fluorophenyl) pyrrolidine-2-carboxylate is O=C(Oc1ccccc1F)C1CCCN1.
What is the InChIKey of (2-fluorophenyl) pyrrolidine-2-carboxylate?
The InChIKey is QRHMYUBDRMPICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-8-4-1-2-6-10(8)15-11(14)9-5-3-7-13-9/h1-2,4,6,9,13H,3,5,7H2.
What are the key properties of (2-fluorophenyl) pyrrolidine-2-carboxylate?
(2-fluorophenyl) pyrrolidine-2-carboxylate has a molecular weight of 209.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) pyrrolidine-2-carboxylate is sourced from PubChem (CID 82113158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).