N-[(4-chloro-3-fluorophenyl)methoxy]methanimine

C8H7ClFNO — CID 174418922

IUPACN-[(4-chloro-3-fluorophenyl)methoxy]methanimine
SMILESC=NOCc1ccc(Cl)c(F)c1
InChIInChI=1S/C8H7ClFNO/c1-11-12-5-6-2-3-7(9)8(10)4-6/h2-4H,1,5H2
InChIKeyFPIIQKYTSMDDRZ-UHFFFAOYSA-N
MW187.60 g/mol
LogP2.61
Rot. Bonds3

About N-[(4-chloro-3-fluorophenyl)methoxy]methanimine

N-[(4-chloro-3-fluorophenyl)methoxy]methanimine (PubChem CID 174418922) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methoxy]methanimine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methoxy]methanimine
PubChem CID174418922
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC NameN-[(4-chloro-3-fluorophenyl)methoxy]methanimine
SMILESC=NOCc1ccc(Cl)c(F)c1
InChIInChI=1S/C8H7ClFNO/c1-11-12-5-6-2-3-7(9)8(10)4-6/h2-4H,1,5H2
InChIKeyFPIIQKYTSMDDRZ-UHFFFAOYSA-N
XLogP2.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 52.61
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-[(4-chloro-3-fluorophenyl)methoxy]methanimine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methoxy]methanimine (CID 174418922) is N-[(4-chloro-3-fluorophenyl)methoxy]methanimine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methoxy]methanimine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methoxy]methanimine is C=NOCc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methoxy]methanimine?
The InChIKey is FPIIQKYTSMDDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c1-11-12-5-6-2-3-7(9)8(10)4-6/h2-4H,1,5H2.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methoxy]methanimine?
N-[(4-chloro-3-fluorophenyl)methoxy]methanimine has a molecular weight of 187.60 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methoxy]methanimine is sourced from PubChem (CID 174418922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).