2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C15H9F5N2 — CID 11174403

IUPAC2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESFc1c(F)c(F)c(C(c2ccc[nH]2)c2ccc[nH]2)c(F)c1F
InChIInChI=1S/C15H9F5N2/c16-11-10(12(17)14(19)15(20)13(11)18)9(7-3-1-5-21-7)8-4-2-6-22-8/h1-6,9,21-22H
InChIKeyXCGQROJURKZJOU-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.22
Rot. Bonds3

About 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 11174403) has the molecular formula C15H9F5N2 and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID11174403
Molecular FormulaC15H9F5N2
Molecular Weight312.24 g/mol
Exact Mass312.07
IUPAC Name2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESFc1c(F)c(F)c(C(c2ccc[nH]2)c2ccc[nH]2)c(F)c1F
InChIInChI=1S/C15H9F5N2/c16-11-10(12(17)14(19)15(20)13(11)18)9(7-3-1-5-21-7)8-4-2-6-22-8/h1-6,9,21-22H
InChIKeyXCGQROJURKZJOU-UHFFFAOYSA-N
XLogP4.22
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-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 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 11174403) is 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is Fc1c(F)c(F)c(C(c2ccc[nH]2)c2ccc[nH]2)c(F)c1F.
What is the InChIKey of 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is XCGQROJURKZJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N2/c16-11-10(12(17)14(19)15(20)13(11)18)9(7-3-1-5-21-7)8-4-2-6-22-8/h1-6,9,21-22H.
What are the key properties of 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 312.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 11174403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).