(4-fluorophenyl)methanimine

C7H6FN — CID 12011115

IUPAC(4-fluorophenyl)methanimine
SMILES[H]/N=C/c1ccc(F)cc1
InChIInChI=1S/C7H6FN/c8-7-3-1-6(5-9)2-4-7/h1-5,9H/b9-5+
InChIKeyDGNNSMIGMLLUMN-WEVVVXLNSA-N
MW123.13 g/mol
LogP1.82
Rot. Bonds1

About (4-fluorophenyl)methanimine

(4-fluorophenyl)methanimine (PubChem CID 12011115) has the molecular formula C7H6FN and a molecular weight of 123.13 g/mol. Its IUPAC name is (4-fluorophenyl)methanimine.

Molecular Properties

Compound Name(4-fluorophenyl)methanimine
PubChem CID12011115
Molecular FormulaC7H6FN
Molecular Weight123.13 g/mol
Exact Mass123.05
IUPAC Name(4-fluorophenyl)methanimine
SMILES[H]/N=C/c1ccc(F)cc1
InChIInChI=1S/C7H6FN/c8-7-3-1-6(5-9)2-4-7/h1-5,9H/b9-5+
InChIKeyDGNNSMIGMLLUMN-WEVVVXLNSA-N
XLogP1.82
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 51.82
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 (4-fluorophenyl)methanimine?
The IUPAC name of (4-fluorophenyl)methanimine (CID 12011115) is (4-fluorophenyl)methanimine.
What is the SMILES notation for (4-fluorophenyl)methanimine?
The canonical SMILES for (4-fluorophenyl)methanimine is [H]/N=C/c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methanimine?
The InChIKey is DGNNSMIGMLLUMN-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H6FN/c8-7-3-1-6(5-9)2-4-7/h1-5,9H/b9-5+.
What are the key properties of (4-fluorophenyl)methanimine?
(4-fluorophenyl)methanimine has a molecular weight of 123.13 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methanimine is sourced from PubChem (CID 12011115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).