2-(4-fluorobenzenecarboximidoyl)aniline

C13H11FN2 — CID 86616565

IUPAC2-(4-fluorobenzenecarboximidoyl)aniline
SMILES[H]/N=C(\c1ccc(F)cc1)c1ccccc1N
InChIInChI=1S/C13H11FN2/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,16H,15H2/b16-13+
InChIKeyAIEXNTKLKJYNLU-DTQAZKPQSA-N
MW214.24 g/mol
LogP2.82
Rot. Bonds2

About 2-(4-fluorobenzenecarboximidoyl)aniline

2-(4-fluorobenzenecarboximidoyl)aniline (PubChem CID 86616565) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(4-fluorobenzenecarboximidoyl)aniline.

Molecular Properties

Compound Name2-(4-fluorobenzenecarboximidoyl)aniline
PubChem CID86616565
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name2-(4-fluorobenzenecarboximidoyl)aniline
SMILES[H]/N=C(\c1ccc(F)cc1)c1ccccc1N
InChIInChI=1S/C13H11FN2/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,16H,15H2/b16-13+
InChIKeyAIEXNTKLKJYNLU-DTQAZKPQSA-N
XLogP2.82
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzenecarboximidoyl)aniline?
The IUPAC name of 2-(4-fluorobenzenecarboximidoyl)aniline (CID 86616565) is 2-(4-fluorobenzenecarboximidoyl)aniline.
What is the SMILES notation for 2-(4-fluorobenzenecarboximidoyl)aniline?
The canonical SMILES for 2-(4-fluorobenzenecarboximidoyl)aniline is [H]/N=C(\c1ccc(F)cc1)c1ccccc1N.
What is the InChIKey of 2-(4-fluorobenzenecarboximidoyl)aniline?
The InChIKey is AIEXNTKLKJYNLU-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H11FN2/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,16H,15H2/b16-13+.
What are the key properties of 2-(4-fluorobenzenecarboximidoyl)aniline?
2-(4-fluorobenzenecarboximidoyl)aniline has a molecular weight of 214.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzenecarboximidoyl)aniline is sourced from PubChem (CID 86616565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).