1-(3-chloro-2-fluorophenyl)-N-methylmethanimine

C8H7ClFN — CID 58222889

IUPAC1-(3-chloro-2-fluorophenyl)-N-methylmethanimine
SMILESC/N=C/c1cccc(Cl)c1F
InChIInChI=1S/C8H7ClFN/c1-11-5-6-3-2-4-7(9)8(6)10/h2-5H,1H3/b11-5+
InChIKeyFENBYMZHWSKJTO-VZUCSPMQSA-N
MW171.60 g/mol
LogP2.53
Rot. Bonds1

About 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine

1-(3-chloro-2-fluorophenyl)-N-methylmethanimine (PubChem CID 58222889) has the molecular formula C8H7ClFN and a molecular weight of 171.60 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-methylmethanimine
PubChem CID58222889
Molecular FormulaC8H7ClFN
Molecular Weight171.60 g/mol
Exact Mass171.03
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-methylmethanimine
SMILESC/N=C/c1cccc(Cl)c1F
InChIInChI=1S/C8H7ClFN/c1-11-5-6-3-2-4-7(9)8(6)10/h2-5H,1H3/b11-5+
InChIKeyFENBYMZHWSKJTO-VZUCSPMQSA-N
XLogP2.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine (CID 58222889) is 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine is C/N=C/c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine?
The InChIKey is FENBYMZHWSKJTO-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7ClFN/c1-11-5-6-3-2-4-7(9)8(6)10/h2-5H,1H3/b11-5+.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine?
1-(3-chloro-2-fluorophenyl)-N-methylmethanimine has a molecular weight of 171.60 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-methylmethanimine is sourced from PubChem (CID 58222889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).