3-ethenyl-3-fluoropyrrolidine

C6H10FN — CID 112564249

IUPAC3-ethenyl-3-fluoropyrrolidine
SMILESC=CC1(F)CCNC1
InChIInChI=1S/C6H10FN/c1-2-6(7)3-4-8-5-6/h2,8H,1,3-5H2
InChIKeyAUNJELUMPHIHCH-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.87
Rot. Bonds1

About 3-ethenyl-3-fluoropyrrolidine

3-ethenyl-3-fluoropyrrolidine (PubChem CID 112564249) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 3-ethenyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-ethenyl-3-fluoropyrrolidine
PubChem CID112564249
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name3-ethenyl-3-fluoropyrrolidine
SMILESC=CC1(F)CCNC1
InChIInChI=1S/C6H10FN/c1-2-6(7)3-4-8-5-6/h2,8H,1,3-5H2
InChIKeyAUNJELUMPHIHCH-UHFFFAOYSA-N
XLogP0.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenyl-3-fluoropyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-fluoropyrrolidine?
The IUPAC name of 3-ethenyl-3-fluoropyrrolidine (CID 112564249) is 3-ethenyl-3-fluoropyrrolidine.
What is the SMILES notation for 3-ethenyl-3-fluoropyrrolidine?
The canonical SMILES for 3-ethenyl-3-fluoropyrrolidine is C=CC1(F)CCNC1.
What is the InChIKey of 3-ethenyl-3-fluoropyrrolidine?
The InChIKey is AUNJELUMPHIHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-2-6(7)3-4-8-5-6/h2,8H,1,3-5H2.
What are the key properties of 3-ethenyl-3-fluoropyrrolidine?
3-ethenyl-3-fluoropyrrolidine has a molecular weight of 115.15 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-fluoropyrrolidine is sourced from PubChem (CID 112564249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).