2-ethenyl-1-fluoropyrrolidine

C6H10FN — CID 87401488

IUPAC2-ethenyl-1-fluoropyrrolidine
SMILESC=CC1CCCN1F
InChIInChI=1S/C6H10FN/c1-2-6-4-3-5-8(6)7/h2,6H,1,3-5H2
InChIKeyALDAEAUAFRHFGI-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.52
Rot. Bonds1

About 2-ethenyl-1-fluoropyrrolidine

2-ethenyl-1-fluoropyrrolidine (PubChem CID 87401488) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 2-ethenyl-1-fluoropyrrolidine.

Molecular Properties

Compound Name2-ethenyl-1-fluoropyrrolidine
PubChem CID87401488
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name2-ethenyl-1-fluoropyrrolidine
SMILESC=CC1CCCN1F
InChIInChI=1S/C6H10FN/c1-2-6-4-3-5-8(6)7/h2,6H,1,3-5H2
InChIKeyALDAEAUAFRHFGI-UHFFFAOYSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-fluoropyrrolidine?
The IUPAC name of 2-ethenyl-1-fluoropyrrolidine (CID 87401488) is 2-ethenyl-1-fluoropyrrolidine.
What is the SMILES notation for 2-ethenyl-1-fluoropyrrolidine?
The canonical SMILES for 2-ethenyl-1-fluoropyrrolidine is C=CC1CCCN1F.
What is the InChIKey of 2-ethenyl-1-fluoropyrrolidine?
The InChIKey is ALDAEAUAFRHFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-2-6-4-3-5-8(6)7/h2,6H,1,3-5H2.
What are the key properties of 2-ethenyl-1-fluoropyrrolidine?
2-ethenyl-1-fluoropyrrolidine has a molecular weight of 115.15 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-fluoropyrrolidine is sourced from PubChem (CID 87401488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).