2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole

C12H10FN — CID 167028653

IUPAC2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole
SMILESC=Cc1ccc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C12H10FN/c1-2-11-7-8-12(14-11)9-3-5-10(13)6-4-9/h2-8,14H,1H2
InChIKeyGWLNNUZPYQBXFA-UHFFFAOYSA-N
MW187.22 g/mol
LogP3.46
Rot. Bonds2

About 2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole

2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole (PubChem CID 167028653) has the molecular formula C12H10FN and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole
PubChem CID167028653
Molecular FormulaC12H10FN
Molecular Weight187.22 g/mol
Exact Mass187.08
IUPAC Name2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole
SMILESC=Cc1ccc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C12H10FN/c1-2-11-7-8-12(14-11)9-3-5-10(13)6-4-9/h2-8,14H,1H2
InChIKeyGWLNNUZPYQBXFA-UHFFFAOYSA-N
XLogP3.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole?
The IUPAC name of 2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole (CID 167028653) is 2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole.
What is the SMILES notation for 2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole?
The canonical SMILES for 2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole is C=Cc1ccc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole?
The InChIKey is GWLNNUZPYQBXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN/c1-2-11-7-8-12(14-11)9-3-5-10(13)6-4-9/h2-8,14H,1H2.
What are the key properties of 2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole?
2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole has a molecular weight of 187.22 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole is sourced from PubChem (CID 167028653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).