(6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine

C8H7Cl2N — CID 10965259

IUPAC(6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C(CCl)=CC=C\C1=C/Cl
InChIInChI=1S/C8H7Cl2N/c9-4-6-2-1-3-7(5-10)8(6)11/h1-4,11H,5H2/b6-4+,11-8-
InChIKeyGUXWMHKTSHRQGF-NBUPAEHBSA-N
MW188.06 g/mol
LogP2.86
Rot. Bonds1

About (6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine

(6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 10965259) has the molecular formula C8H7Cl2N and a molecular weight of 188.06 g/mol. Its IUPAC name is (6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine
PubChem CID10965259
Molecular FormulaC8H7Cl2N
Molecular Weight188.06 g/mol
Exact Mass187.00
IUPAC Name(6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C(CCl)=CC=C\C1=C/Cl
InChIInChI=1S/C8H7Cl2N/c9-4-6-2-1-3-7(5-10)8(6)11/h1-4,11H,5H2/b6-4+,11-8-
InChIKeyGUXWMHKTSHRQGF-NBUPAEHBSA-N
XLogP2.86
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)cyclohexa-2,4-dien-1-imine
CID 68905969
2,6-Dichlorocyclohexa-2,4-dien-1-imine;iron(2+);dichloride
CID 69878354
(5Z)-1-chloroocta-5,7-dien-4-imine
CID 123973209
(6Z)-2-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine
CID 144279131
(6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine
CID 170120063
(6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 172537223
(6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine
CID 11768650
[2,6-Bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide
CID 11769270
2,6-Dichlorocyclohexa-2,4-dien-1-imine
CID 17962982
2-(Chloromethyl)cyclohexa-2,4-dien-1-imine
CID 101120031
2,6-Bis(chloromethyl)cyclohexa-2,5-dien-1-imine
CID 101120032
(6Z)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine
CID 133679064

Frequently Asked Questions

What is the IUPAC name of (6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine (CID 10965259) is (6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C(CCl)=CC=C\C1=C/Cl.
What is the InChIKey of (6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is GUXWMHKTSHRQGF-NBUPAEHBSA-N. The full InChI is InChI=1S/C8H7Cl2N/c9-4-6-2-1-3-7(5-10)8(6)11/h1-4,11H,5H2/b6-4+,11-8-.
What are the key properties of (6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine?
(6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 188.06 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 10965259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).