N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine

C14H11ClFNO — CID 75981151

IUPACN-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine
SMILESFc1cccc(C=NOCc2ccccc2Cl)c1
InChIInChI=1S/C14H11ClFNO/c15-14-7-2-1-5-12(14)10-18-17-9-11-4-3-6-13(16)8-11/h1-9H,10H2
InChIKeyMZEVUGSSUDYOIG-UHFFFAOYSA-N
MW263.70 g/mol
LogP4.03
Rot. Bonds4

About N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine

N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine (PubChem CID 75981151) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine
PubChem CID75981151
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC NameN-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine
SMILESFc1cccc(C=NOCc2ccccc2Cl)c1
InChIInChI=1S/C14H11ClFNO/c15-14-7-2-1-5-12(14)10-18-17-9-11-4-3-6-13(16)8-11/h1-9H,10H2
InChIKeyMZEVUGSSUDYOIG-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 N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine?
The IUPAC name of N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine (CID 75981151) is N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine.
What is the SMILES notation for N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine?
The canonical SMILES for N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine is Fc1cccc(C=NOCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine?
The InChIKey is MZEVUGSSUDYOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-14-7-2-1-5-12(14)10-18-17-9-11-4-3-6-13(16)8-11/h1-9H,10H2.
What are the key properties of N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine?
N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)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 N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine is sourced from PubChem (CID 75981151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).