6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine

C8H7ClFN — CID 91491056

IUPAC6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=CC=C(F)C1=CCl
InChIInChI=1S/C8H7ClFN/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5H,1H3/b6-5?,11-8+
InChIKeyZHTWICNXCBOGSX-SHZBLTAYSA-N
MW171.60 g/mol
LogP2.60
Rot. Bonds

About 6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine

6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine (PubChem CID 91491056) has the molecular formula C8H7ClFN and a molecular weight of 171.60 g/mol. Its IUPAC name is 6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine
PubChem CID91491056
Molecular FormulaC8H7ClFN
Molecular Weight171.60 g/mol
Exact Mass171.03
IUPAC Name6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=CC=C(F)C1=CCl
InChIInChI=1S/C8H7ClFN/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5H,1H3/b6-5?,11-8+
InChIKeyZHTWICNXCBOGSX-SHZBLTAYSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 52.60
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

(6E)-6-(1-chloropropylidene)-3-(1,1-difluoroethyl)-N-methylcyclohexa-2,4-dien-1-imine
CID 142290673
N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 145222315
(5Z,7E)-2-chloro-7-fluoro-N-methyl-4-methylidenenona-1,5,7-trien-3-imine
CID 166807621
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine
CID 146245373
N-tert-butyl-6-chlorocyclohexa-2,4-dien-1-imine
CID 70258379
3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 123770500
(Z)-1-(3-chlorocyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-imine
CID 144344262
2-chloro-2H-indole
CID 158600536
(6E)-6-(1-chloropropylidene)-N-methylcyclohexa-2,4-dien-1-imine
CID 168262442
(6Z)-3-chloro-N,5-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine
CID 171501124
(6Z)-N-(chloromethyl)-6-ethylidenecyclohexa-2,4-dien-1-imine
CID 173733298

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine (CID 91491056) is 6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine is C/N=C1\C=CC=C(F)C1=CCl.
What is the InChIKey of 6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is ZHTWICNXCBOGSX-SHZBLTAYSA-N. The full InChI is InChI=1S/C8H7ClFN/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5H,1H3/b6-5?,11-8+.
What are the key properties of 6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine?
6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 171.60 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 91491056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).