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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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).