5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene

C12H12ClF — CID 78017001

IUPAC5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
SMILESFC1(C2(Cl)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C12H12ClF/c13-11(7-3-1-4-8-11)12(14)9-5-2-6-10-12/h1-7,9H,8,10H2
InChIKeyPDLHCXRHWKHUDQ-UHFFFAOYSA-N
MW210.68 g/mol
LogP3.70
Rot. Bonds1

About 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene

5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 78017001) has the molecular formula C12H12ClF and a molecular weight of 210.68 g/mol. Its IUPAC name is 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
PubChem CID78017001
Molecular FormulaC12H12ClF
Molecular Weight210.68 g/mol
Exact Mass210.06
IUPAC Name5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
SMILESFC1(C2(Cl)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C12H12ClF/c13-11(7-3-1-4-8-11)12(14)9-5-2-6-10-12/h1-7,9H,8,10H2
InChIKeyPDLHCXRHWKHUDQ-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.68
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene 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

2-Chloro-2-propylbenzene
CID 19378283
6-Chloro-2-fluoro-5-propylcyclohexa-1,3-diene
CID 66612589
1-Chloro-5-ethyl-2-fluorocyclohexa-1,3-diene
CID 69946131
2-Chloro-6-fluoro-5-propan-2-ylcyclohexa-1,3-diene
CID 117849034
2-Chloro-6-cyclopropyl-1-fluorocyclohexa-1,3-diene
CID 123736059
6-Chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 134267849
5-Chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene
CID 141455515
1-Chloro-5-fluoro-6-methyl-6-propan-2-ylcyclohexa-1,3-diene
CID 146335413
2-Chloro-1-fluoro-4-methyl-3,5-dimethylidenecyclohexene
CID 163890894
8-Chloro-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene
CID 169127587
1-Chloro-6-ethenyl-4-fluorocyclohexene
CID 174313101
1-Chloro-4-fluoro-5-propylcyclohexa-1,3-diene
CID 178721685

Frequently Asked Questions

What is the IUPAC name of 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene (CID 78017001) is 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene is FC1(C2(Cl)C=CC=CC2)C=CC=CC1.
What is the InChIKey of 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is PDLHCXRHWKHUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF/c13-11(7-3-1-4-8-11)12(14)9-5-2-6-10-12/h1-7,9H,8,10H2.
What are the key properties of 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene?
5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 210.68 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 78017001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).