1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine

C14H11ClFNO — CID 75981129

IUPAC1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
SMILESFc1ccc(CON=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClFNO/c15-13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(16)8-4-12/h1-9H,10H2
InChIKeyYKEVJVZJECTORL-UHFFFAOYSA-N
MW263.70 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine

1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine (PubChem CID 75981129) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
PubChem CID75981129
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
SMILESFc1ccc(CON=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClFNO/c15-13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(16)8-4-12/h1-9H,10H2
InChIKeyYKEVJVZJECTORL-UHFFFAOYSA-N
XLogP4.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine (CID 75981129) is 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine is Fc1ccc(CON=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine?
The InChIKey is YKEVJVZJECTORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(16)8-4-12/h1-9H,10H2.
What are the key properties of 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine?
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine has a molecular weight of 263.70 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine is sourced from PubChem (CID 75981129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).