N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine

C11H9FN2 — CID 2314944

IUPACN-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine
SMILESFc1ccc(/N=C/c2ccc[nH]2)cc1
InChIInChI=1S/C11H9FN2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h1-8,13H/b14-8+
InChIKeyZEBZFAJDJJCLBF-RIYZIHGNSA-N
MW188.20 g/mol
LogP2.90
Rot. Bonds2

About N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine

N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine (PubChem CID 2314944) has the molecular formula C11H9FN2 and a molecular weight of 188.20 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine
PubChem CID2314944
Molecular FormulaC11H9FN2
Molecular Weight188.20 g/mol
Exact Mass188.07
IUPAC NameN-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine
SMILESFc1ccc(/N=C/c2ccc[nH]2)cc1
InChIInChI=1S/C11H9FN2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h1-8,13H/b14-8+
InChIKeyZEBZFAJDJJCLBF-RIYZIHGNSA-N
XLogP2.90
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine (CID 2314944) is N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine is Fc1ccc(/N=C/c2ccc[nH]2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine?
The InChIKey is ZEBZFAJDJJCLBF-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H9FN2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h1-8,13H/b14-8+.
What are the key properties of N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine?
N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine has a molecular weight of 188.20 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)methanimine is sourced from PubChem (CID 2314944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).