1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole

C11H18FN — CID 164922123

IUPAC1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole
SMILESCCC/C=C/C1C=CCN1CCF
InChIInChI=1S/C11H18FN/c1-2-3-4-6-11-7-5-9-13(11)10-8-12/h4-7,11H,2-3,8-10H2,1H3/b6-4+
InChIKeyVTQAZCPMPOMHLC-GQCTYLIASA-N
MW183.27 g/mol
LogP2.55
Rot. Bonds5

About 1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole

1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole (PubChem CID 164922123) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole
PubChem CID164922123
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole
SMILESCCC/C=C/C1C=CCN1CCF
InChIInChI=1S/C11H18FN/c1-2-3-4-6-11-7-5-9-13(11)10-8-12/h4-7,11H,2-3,8-10H2,1H3/b6-4+
InChIKeyVTQAZCPMPOMHLC-GQCTYLIASA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.55
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-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole?
The IUPAC name of 1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole (CID 164922123) is 1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole.
What is the SMILES notation for 1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole?
The canonical SMILES for 1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole is CCC/C=C/C1C=CCN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole?
The InChIKey is VTQAZCPMPOMHLC-GQCTYLIASA-N. The full InChI is InChI=1S/C11H18FN/c1-2-3-4-6-11-7-5-9-13(11)10-8-12/h4-7,11H,2-3,8-10H2,1H3/b6-4+.
What are the key properties of 1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole?
1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole has a molecular weight of 183.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole is sourced from PubChem (CID 164922123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).