1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine

C14H24FN — CID 167009907

IUPAC1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine
SMILESC=CC(C=C)CC(CC)CN1CCC(F)C1
InChIInChI=1S/C14H24FN/c1-4-12(5-2)9-13(6-3)10-16-8-7-14(15)11-16/h4-5,12-14H,1-2,6-11H2,3H3
InChIKeyXJDPKLRKDQYPOR-UHFFFAOYSA-N
MW225.35 g/mol
LogP3.43
Rot. Bonds7

About 1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine

1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine (PubChem CID 167009907) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine
PubChem CID167009907
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine
SMILESC=CC(C=C)CC(CC)CN1CCC(F)C1
InChIInChI=1S/C14H24FN/c1-4-12(5-2)9-13(6-3)10-16-8-7-14(15)11-16/h4-5,12-14H,1-2,6-11H2,3H3
InChIKeyXJDPKLRKDQYPOR-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.43
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 1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine?
The IUPAC name of 1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine (CID 167009907) is 1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine.
What is the SMILES notation for 1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine?
The canonical SMILES for 1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine is C=CC(C=C)CC(CC)CN1CCC(F)C1.
What is the InChIKey of 1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine?
The InChIKey is XJDPKLRKDQYPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN/c1-4-12(5-2)9-13(6-3)10-16-8-7-14(15)11-16/h4-5,12-14H,1-2,6-11H2,3H3.
What are the key properties of 1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine?
1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine has a molecular weight of 225.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine is sourced from PubChem (CID 167009907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).