1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine

C8H4Cl5N — CID 154109292

IUPAC1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine
SMILESClC(Cl)=NC(Cl)(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C8H4Cl5N/c9-6-3-1-5(2-4-6)8(12,13)14-7(10)11/h1-4H
InChIKeyYVOSEWWXWROIHF-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.76
Rot. Bonds2

About 1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine

1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine (PubChem CID 154109292) has the molecular formula C8H4Cl5N and a molecular weight of 291.39 g/mol. Its IUPAC name is 1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine.

Molecular Properties

Compound Name1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine
PubChem CID154109292
Molecular FormulaC8H4Cl5N
Molecular Weight291.39 g/mol
Exact Mass288.88
IUPAC Name1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine
SMILESClC(Cl)=NC(Cl)(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C8H4Cl5N/c9-6-3-1-5(2-4-6)8(12,13)14-7(10)11/h1-4H
InChIKeyYVOSEWWXWROIHF-UHFFFAOYSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387
1-chloro-4-[chloro-[chloro-bis(4-chlorophenyl)methyl]sulfanyl-(4-chlorophenyl)methyl]benzene
CID 88768723
1-chloro-4-[dichloro(phenyl)methyl]benzene
CID 11000180
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1-chloro-4-[dibromo-[dibromo-(4-chlorophenyl)methyl]sulfonylmethyl]benzene
CID 87151335
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
1,3-dichloro-2-(4-chlorophenyl)propan-2-ol
CID 12784612
CID 57186179
CID 57186179
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
azane;1,4-dichlorobenzene
CID 69330361
2-(4-chlorophenyl)-2,2-dihydroxyacetonitrile
CID 143794107

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine?
The IUPAC name of 1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine (CID 154109292) is 1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine.
What is the SMILES notation for 1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine?
The canonical SMILES for 1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine is ClC(Cl)=NC(Cl)(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine?
The InChIKey is YVOSEWWXWROIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl5N/c9-6-3-1-5(2-4-6)8(12,13)14-7(10)11/h1-4H.
What are the key properties of 1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine?
1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine has a molecular weight of 291.39 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-N-[dichloro-(4-chlorophenyl)methyl]methanimine is sourced from PubChem (CID 154109292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).