3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole

C10H14FN — CID 155719567

IUPAC3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole
SMILESC=CC1=C(C(=C)F)CN(CC)C1
InChIInChI=1S/C10H14FN/c1-4-9-6-12(5-2)7-10(9)8(3)11/h4H,1,3,5-7H2,2H3
InChIKeyPXVFQAFNZOLRFK-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.29
Rot. Bonds3

About 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole

3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole (PubChem CID 155719567) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole
PubChem CID155719567
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole
SMILESC=CC1=C(C(=C)F)CN(CC)C1
InChIInChI=1S/C10H14FN/c1-4-9-6-12(5-2)7-10(9)8(3)11/h4H,1,3,5-7H2,2H3
InChIKeyPXVFQAFNZOLRFK-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole 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 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole?
The IUPAC name of 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole (CID 155719567) is 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole.
What is the SMILES notation for 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole?
The canonical SMILES for 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole is C=CC1=C(C(=C)F)CN(CC)C1.
What is the InChIKey of 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole?
The InChIKey is PXVFQAFNZOLRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-4-9-6-12(5-2)7-10(9)8(3)11/h4H,1,3,5-7H2,2H3.
What are the key properties of 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole?
3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole has a molecular weight of 167.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-ethyl-4-(1-fluoroethenyl)-2,5-dihydropyrrole is sourced from PubChem (CID 155719567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).