2-(2-fluorophenyl)benzenecarboximidoyl chloride

C13H9ClFN — CID 22419529

IUPAC2-(2-fluorophenyl)benzenecarboximidoyl chloride
SMILES[H]/N=C(\Cl)c1ccccc1-c1ccccc1F
InChIInChI=1S/C13H9ClFN/c14-13(16)11-7-2-1-5-9(11)10-6-3-4-8-12(10)15/h1-8,16H/b16-13-
InChIKeyOWUNXWJYBBFGMN-SSZFMOIBSA-N
MW233.67 g/mol
LogP4.06
Rot. Bonds2

About 2-(2-fluorophenyl)benzenecarboximidoyl chloride

2-(2-fluorophenyl)benzenecarboximidoyl chloride (PubChem CID 22419529) has the molecular formula C13H9ClFN and a molecular weight of 233.67 g/mol. Its IUPAC name is 2-(2-fluorophenyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)benzenecarboximidoyl chloride
PubChem CID22419529
Molecular FormulaC13H9ClFN
Molecular Weight233.67 g/mol
Exact Mass233.04
IUPAC Name2-(2-fluorophenyl)benzenecarboximidoyl chloride
SMILES[H]/N=C(\Cl)c1ccccc1-c1ccccc1F
InChIInChI=1S/C13H9ClFN/c14-13(16)11-7-2-1-5-9(11)10-6-3-4-8-12(10)15/h1-8,16H/b16-13-
InChIKeyOWUNXWJYBBFGMN-SSZFMOIBSA-N
XLogP4.06
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 54.06
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)benzenecarboximidoyl chloride?
The IUPAC name of 2-(2-fluorophenyl)benzenecarboximidoyl chloride (CID 22419529) is 2-(2-fluorophenyl)benzenecarboximidoyl chloride.
What is the SMILES notation for 2-(2-fluorophenyl)benzenecarboximidoyl chloride?
The canonical SMILES for 2-(2-fluorophenyl)benzenecarboximidoyl chloride is [H]/N=C(\Cl)c1ccccc1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)benzenecarboximidoyl chloride?
The InChIKey is OWUNXWJYBBFGMN-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H9ClFN/c14-13(16)11-7-2-1-5-9(11)10-6-3-4-8-12(10)15/h1-8,16H/b16-13-.
What are the key properties of 2-(2-fluorophenyl)benzenecarboximidoyl chloride?
2-(2-fluorophenyl)benzenecarboximidoyl chloride has a molecular weight of 233.67 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 22419529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).