1-ethyl-2-(4-fluorophenyl)pyrrole

C12H12FN — CID 142784828

IUPAC1-ethyl-2-(4-fluorophenyl)pyrrole
SMILESCCn1cccc1-c1ccc(F)cc1
InChIInChI=1S/C12H12FN/c1-2-14-9-3-4-12(14)10-5-7-11(13)8-6-10/h3-9H,2H2,1H3
InChIKeyBAZWAHSREOJONU-UHFFFAOYSA-N
MW189.23 g/mol
LogP3.31
Rot. Bonds2

About 1-ethyl-2-(4-fluorophenyl)pyrrole

1-ethyl-2-(4-fluorophenyl)pyrrole (PubChem CID 142784828) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-ethyl-2-(4-fluorophenyl)pyrrole.

Molecular Properties

Compound Name1-ethyl-2-(4-fluorophenyl)pyrrole
PubChem CID142784828
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name1-ethyl-2-(4-fluorophenyl)pyrrole
SMILESCCn1cccc1-c1ccc(F)cc1
InChIInChI=1S/C12H12FN/c1-2-14-9-3-4-12(14)10-5-7-11(13)8-6-10/h3-9H,2H2,1H3
InChIKeyBAZWAHSREOJONU-UHFFFAOYSA-N
XLogP3.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-2-(4-fluorophenyl)pyrrole 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 1-ethyl-2-(4-fluorophenyl)pyrrole?
The IUPAC name of 1-ethyl-2-(4-fluorophenyl)pyrrole (CID 142784828) is 1-ethyl-2-(4-fluorophenyl)pyrrole.
What is the SMILES notation for 1-ethyl-2-(4-fluorophenyl)pyrrole?
The canonical SMILES for 1-ethyl-2-(4-fluorophenyl)pyrrole is CCn1cccc1-c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-2-(4-fluorophenyl)pyrrole?
The InChIKey is BAZWAHSREOJONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN/c1-2-14-9-3-4-12(14)10-5-7-11(13)8-6-10/h3-9H,2H2,1H3.
What are the key properties of 1-ethyl-2-(4-fluorophenyl)pyrrole?
1-ethyl-2-(4-fluorophenyl)pyrrole has a molecular weight of 189.23 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-fluorophenyl)pyrrole is sourced from PubChem (CID 142784828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).