(6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine

C8H7ClFN — CID 144524408

IUPAC(6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(Cl)C=C(F)\C1=C\C
InChIInChI=1S/C8H7ClFN/c1-2-6-7(10)3-5(9)4-8(6)11/h2-4,11H,1H3/b6-2-,11-8+
InChIKeyCVCPMSBPUYUAGU-UXWKEASISA-N
MW171.60 g/mol
LogP2.94
Rot. Bonds

About (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine

(6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine (PubChem CID 144524408) has the molecular formula C8H7ClFN and a molecular weight of 171.60 g/mol. Its IUPAC name is (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine
PubChem CID144524408
Molecular FormulaC8H7ClFN
Molecular Weight171.60 g/mol
Exact Mass171.03
IUPAC Name(6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(Cl)C=C(F)\C1=C\C
InChIInChI=1S/C8H7ClFN/c1-2-6-7(10)3-5(9)4-8(6)11/h2-4,11H,1H3/b6-2-,11-8+
InChIKeyCVCPMSBPUYUAGU-UXWKEASISA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-chloro-6-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 88900847
3,4-Difluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89255212
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
5-Fluoro-6-methylhepta-4,6-dien-2-imine
CID 123502589
(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine
CID 134217364
4-Fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223
1-(4-Chloro-2-fluorocyclohepta-1,3,6-trien-1-yl)ethanimine
CID 138486907
4-Fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 138664516
(3E)-3-chloro-5-fluoro-6-methylhepta-3,5-dien-2-imine
CID 138668339
(4-Chloro-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium
CID 142587566
4-Chloro-5-fluorocyclohexa-3,5-diene-1,2-diimine
CID 142587567
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603

Frequently Asked Questions

What is the IUPAC name of (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine (CID 144524408) is (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine is [H]/N=C1\C=C(Cl)C=C(F)\C1=C\C.
What is the InChIKey of (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine?
The InChIKey is CVCPMSBPUYUAGU-UXWKEASISA-N. The full InChI is InChI=1S/C8H7ClFN/c1-2-6-7(10)3-5(9)4-8(6)11/h2-4,11H,1H3/b6-2-,11-8+.
What are the key properties of (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine?
(6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine has a molecular weight of 171.60 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 144524408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).