1-(2-chloro-6-fluorophenyl)-N-methylmethanimine

C8H7ClFN — CID 18736702

IUPAC1-(2-chloro-6-fluorophenyl)-N-methylmethanimine
SMILESC/N=C/c1c(F)cccc1Cl
InChIInChI=1S/C8H7ClFN/c1-11-5-6-7(9)3-2-4-8(6)10/h2-5H,1H3/b11-5+
InChIKeyGLKREOUXGUVOQG-VZUCSPMQSA-N
MW171.60 g/mol
LogP2.53
Rot. Bonds1

About 1-(2-chloro-6-fluorophenyl)-N-methylmethanimine

1-(2-chloro-6-fluorophenyl)-N-methylmethanimine (PubChem CID 18736702) has the molecular formula C8H7ClFN and a molecular weight of 171.60 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methylmethanimine
PubChem CID18736702
Molecular FormulaC8H7ClFN
Molecular Weight171.60 g/mol
Exact Mass171.03
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methylmethanimine
SMILESC/N=C/c1c(F)cccc1Cl
InChIInChI=1S/C8H7ClFN/c1-11-5-6-7(9)3-2-4-8(6)10/h2-5H,1H3/b11-5+
InChIKeyGLKREOUXGUVOQG-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'}

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)methanimine
CID 918906
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
CID 2259065
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6897306
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methylbutanamide
CID 4157167
1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene
CID 162694789
2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile
CID 3736377
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841674
N'-[(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 3130667
3-(2-chloro-6-fluorophenyl)prop-2-ene-1-thiol
CID 169454698
1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one
CID 2780185

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methylmethanimine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methylmethanimine (CID 18736702) is 1-(2-chloro-6-fluorophenyl)-N-methylmethanimine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methylmethanimine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methylmethanimine is C/N=C/c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methylmethanimine?
The InChIKey is GLKREOUXGUVOQG-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7ClFN/c1-11-5-6-7(9)3-2-4-8(6)10/h2-5H,1H3/b11-5+.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methylmethanimine?
1-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-N-methylmethanimine is sourced from PubChem (CID 18736702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).