2-N-(2-fluorophenyl)benzene-1,2-diamine

C12H11FN2 — CID 19039441

IUPAC2-N-(2-fluorophenyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccccc1F
InChIInChI=1S/C12H11FN2/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H,14H2
InChIKeyOYGRPIXAYJLZEN-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.15
Rot. Bonds2

About 2-N-(2-fluorophenyl)benzene-1,2-diamine

2-N-(2-fluorophenyl)benzene-1,2-diamine (PubChem CID 19039441) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)benzene-1,2-diamine
PubChem CID19039441
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name2-N-(2-fluorophenyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccccc1F
InChIInChI=1S/C12H11FN2/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H,14H2
InChIKeyOYGRPIXAYJLZEN-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)benzene-1,2-diamine (CID 19039441) is 2-N-(2-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)benzene-1,2-diamine is Nc1ccccc1Nc1ccccc1F.
What is the InChIKey of 2-N-(2-fluorophenyl)benzene-1,2-diamine?
The InChIKey is OYGRPIXAYJLZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H,14H2.
What are the key properties of 2-N-(2-fluorophenyl)benzene-1,2-diamine?
2-N-(2-fluorophenyl)benzene-1,2-diamine has a molecular weight of 202.23 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 19039441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).