3-fluoro-1-hex-3-enyl-4-methylpyrrolidine

C11H20FN — CID 123611111

IUPAC3-fluoro-1-hex-3-enyl-4-methylpyrrolidine
SMILESCCC=CCCN1CC(C)C(F)C1
InChIInChI=1S/C11H20FN/c1-3-4-5-6-7-13-8-10(2)11(12)9-13/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyGCDBPJDFXZSAEY-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.63
Rot. Bonds4

About 3-fluoro-1-hex-3-enyl-4-methylpyrrolidine

3-fluoro-1-hex-3-enyl-4-methylpyrrolidine (PubChem CID 123611111) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-fluoro-1-hex-3-enyl-4-methylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-hex-3-enyl-4-methylpyrrolidine
PubChem CID123611111
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name3-fluoro-1-hex-3-enyl-4-methylpyrrolidine
SMILESCCC=CCCN1CC(C)C(F)C1
InChIInChI=1S/C11H20FN/c1-3-4-5-6-7-13-8-10(2)11(12)9-13/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyGCDBPJDFXZSAEY-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-hex-3-enyl-4-methylpyrrolidine?
The IUPAC name of 3-fluoro-1-hex-3-enyl-4-methylpyrrolidine (CID 123611111) is 3-fluoro-1-hex-3-enyl-4-methylpyrrolidine.
What is the SMILES notation for 3-fluoro-1-hex-3-enyl-4-methylpyrrolidine?
The canonical SMILES for 3-fluoro-1-hex-3-enyl-4-methylpyrrolidine is CCC=CCCN1CC(C)C(F)C1.
What is the InChIKey of 3-fluoro-1-hex-3-enyl-4-methylpyrrolidine?
The InChIKey is GCDBPJDFXZSAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-3-4-5-6-7-13-8-10(2)11(12)9-13/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 3-fluoro-1-hex-3-enyl-4-methylpyrrolidine?
3-fluoro-1-hex-3-enyl-4-methylpyrrolidine has a molecular weight of 185.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-hex-3-enyl-4-methylpyrrolidine is sourced from PubChem (CID 123611111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).