1-chloro-3-ethenyl-4-fluoropyrrolidine

C6H9ClFN — CID 123502467

IUPAC1-chloro-3-ethenyl-4-fluoropyrrolidine
SMILESC=CC1CN(Cl)CC1F
InChIInChI=1S/C6H9ClFN/c1-2-5-3-9(7)4-6(5)8/h2,5-6H,1,3-4H2
InChIKeyJLALFPMGHRWISU-UHFFFAOYSA-N
MW149.60 g/mol
LogP1.60
Rot. Bonds1

About 1-chloro-3-ethenyl-4-fluoropyrrolidine

1-chloro-3-ethenyl-4-fluoropyrrolidine (PubChem CID 123502467) has the molecular formula C6H9ClFN and a molecular weight of 149.60 g/mol. Its IUPAC name is 1-chloro-3-ethenyl-4-fluoropyrrolidine.

Molecular Properties

Compound Name1-chloro-3-ethenyl-4-fluoropyrrolidine
PubChem CID123502467
Molecular FormulaC6H9ClFN
Molecular Weight149.60 g/mol
Exact Mass149.04
IUPAC Name1-chloro-3-ethenyl-4-fluoropyrrolidine
SMILESC=CC1CN(Cl)CC1F
InChIInChI=1S/C6H9ClFN/c1-2-5-3-9(7)4-6(5)8/h2,5-6H,1,3-4H2
InChIKeyJLALFPMGHRWISU-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.60
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-3-ethenyl-4-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 1-chloro-3-ethenyl-4-fluoropyrrolidine?
The IUPAC name of 1-chloro-3-ethenyl-4-fluoropyrrolidine (CID 123502467) is 1-chloro-3-ethenyl-4-fluoropyrrolidine.
What is the SMILES notation for 1-chloro-3-ethenyl-4-fluoropyrrolidine?
The canonical SMILES for 1-chloro-3-ethenyl-4-fluoropyrrolidine is C=CC1CN(Cl)CC1F.
What is the InChIKey of 1-chloro-3-ethenyl-4-fluoropyrrolidine?
The InChIKey is JLALFPMGHRWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClFN/c1-2-5-3-9(7)4-6(5)8/h2,5-6H,1,3-4H2.
What are the key properties of 1-chloro-3-ethenyl-4-fluoropyrrolidine?
1-chloro-3-ethenyl-4-fluoropyrrolidine has a molecular weight of 149.60 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethenyl-4-fluoropyrrolidine is sourced from PubChem (CID 123502467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).