3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole

C13H12FN — CID 89001160

IUPAC3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole
SMILESC=CC1=CC=NC1Cc1ccc(F)cc1
InChIInChI=1S/C13H12FN/c1-2-11-7-8-15-13(11)9-10-3-5-12(14)6-4-10/h2-8,13H,1,9H2
InChIKeyOPFVJNNFLLHBPG-UHFFFAOYSA-N
MW201.24 g/mol
LogP2.93
Rot. Bonds3

About 3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole

3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole (PubChem CID 89001160) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole.

Molecular Properties

Compound Name3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole
PubChem CID89001160
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole
SMILESC=CC1=CC=NC1Cc1ccc(F)cc1
InChIInChI=1S/C13H12FN/c1-2-11-7-8-15-13(11)9-10-3-5-12(14)6-4-10/h2-8,13H,1,9H2
InChIKeyOPFVJNNFLLHBPG-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole?
The IUPAC name of 3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole (CID 89001160) is 3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole.
What is the SMILES notation for 3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole?
The canonical SMILES for 3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole is C=CC1=CC=NC1Cc1ccc(F)cc1.
What is the InChIKey of 3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole?
The InChIKey is OPFVJNNFLLHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c1-2-11-7-8-15-13(11)9-10-3-5-12(14)6-4-10/h2-8,13H,1,9H2.
What are the key properties of 3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole?
3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole has a molecular weight of 201.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-[(4-fluorophenyl)methyl]-2H-pyrrole is sourced from PubChem (CID 89001160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).