2-(methylamino)benzenecarboximidoyl fluoride

C8H9FN2 — CID 138666173

IUPAC2-(methylamino)benzenecarboximidoyl fluoride
SMILES[H]/N=C(\F)c1ccccc1NC
InChIInChI=1S/C8H9FN2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,10-11H,1H3/b10-8-
InChIKeyRYCOXHUVZIWGOT-NTMALXAHSA-N
MW152.17 g/mol
LogP2.02
Rot. Bonds2

About 2-(methylamino)benzenecarboximidoyl fluoride

2-(methylamino)benzenecarboximidoyl fluoride (PubChem CID 138666173) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-(methylamino)benzenecarboximidoyl fluoride.

Molecular Properties

Compound Name2-(methylamino)benzenecarboximidoyl fluoride
PubChem CID138666173
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name2-(methylamino)benzenecarboximidoyl fluoride
SMILES[H]/N=C(\F)c1ccccc1NC
InChIInChI=1S/C8H9FN2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,10-11H,1H3/b10-8-
InChIKeyRYCOXHUVZIWGOT-NTMALXAHSA-N
XLogP2.02
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(methylamino)benzenecarboximidoyl fluoride?
The IUPAC name of 2-(methylamino)benzenecarboximidoyl fluoride (CID 138666173) is 2-(methylamino)benzenecarboximidoyl fluoride.
What is the SMILES notation for 2-(methylamino)benzenecarboximidoyl fluoride?
The canonical SMILES for 2-(methylamino)benzenecarboximidoyl fluoride is [H]/N=C(\F)c1ccccc1NC.
What is the InChIKey of 2-(methylamino)benzenecarboximidoyl fluoride?
The InChIKey is RYCOXHUVZIWGOT-NTMALXAHSA-N. The full InChI is InChI=1S/C8H9FN2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,10-11H,1H3/b10-8-.
What are the key properties of 2-(methylamino)benzenecarboximidoyl fluoride?
2-(methylamino)benzenecarboximidoyl fluoride has a molecular weight of 152.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)benzenecarboximidoyl fluoride is sourced from PubChem (CID 138666173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).