2-(2-fluorophenyl)-3H-isoindol-1-imine

C14H11FN2 — CID 2980632

IUPAC2-(2-fluorophenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1ccccc1F
InChIInChI=1S/C14H11FN2/c15-12-7-3-4-8-13(12)17-9-10-5-1-2-6-11(10)14(17)16/h1-8,16H,9H2/b16-14+
InChIKeyUJSZZLQXXQWIQS-JQIJEIRASA-N
MW226.25 g/mol
LogP3.17
Rot. Bonds1

About 2-(2-fluorophenyl)-3H-isoindol-1-imine

2-(2-fluorophenyl)-3H-isoindol-1-imine (PubChem CID 2980632) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3H-isoindol-1-imine
PubChem CID2980632
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name2-(2-fluorophenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1ccccc1F
InChIInChI=1S/C14H11FN2/c15-12-7-3-4-8-13(12)17-9-10-5-1-2-6-11(10)14(17)16/h1-8,16H,9H2/b16-14+
InChIKeyUJSZZLQXXQWIQS-JQIJEIRASA-N
XLogP3.17
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.17
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 2-(2-fluorophenyl)-3H-isoindol-1-imine?
The IUPAC name of 2-(2-fluorophenyl)-3H-isoindol-1-imine (CID 2980632) is 2-(2-fluorophenyl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(2-fluorophenyl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(2-fluorophenyl)-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3H-isoindol-1-imine?
The InChIKey is UJSZZLQXXQWIQS-JQIJEIRASA-N. The full InChI is InChI=1S/C14H11FN2/c15-12-7-3-4-8-13(12)17-9-10-5-1-2-6-11(10)14(17)16/h1-8,16H,9H2/b16-14+.
What are the key properties of 2-(2-fluorophenyl)-3H-isoindol-1-imine?
2-(2-fluorophenyl)-3H-isoindol-1-imine has a molecular weight of 226.25 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3H-isoindol-1-imine is sourced from PubChem (CID 2980632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).