5,6-dichloro-5,6-difluorocyclohexa-1,3-diene

C6H4Cl2F2 — CID 67764475

IUPAC5,6-dichloro-5,6-difluorocyclohexa-1,3-diene
SMILESFC1(Cl)C=CC=CC1(F)Cl
InChIInChI=1S/C6H4Cl2F2/c7-5(9)3-1-2-4-6(5,8)10/h1-4H
InChIKeyHLSXTFPGCIVANM-UHFFFAOYSA-N
MW185.00 g/mol
LogP2.92
Rot. Bonds

About 5,6-dichloro-5,6-difluorocyclohexa-1,3-diene

5,6-dichloro-5,6-difluorocyclohexa-1,3-diene (PubChem CID 67764475) has the molecular formula C6H4Cl2F2 and a molecular weight of 185.00 g/mol. Its IUPAC name is 5,6-dichloro-5,6-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dichloro-5,6-difluorocyclohexa-1,3-diene
PubChem CID67764475
Molecular FormulaC6H4Cl2F2
Molecular Weight185.00 g/mol
Exact Mass183.97
IUPAC Name5,6-dichloro-5,6-difluorocyclohexa-1,3-diene
SMILESFC1(Cl)C=CC=CC1(F)Cl
InChIInChI=1S/C6H4Cl2F2/c7-5(9)3-1-2-4-6(5,8)10/h1-4H
InChIKeyHLSXTFPGCIVANM-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.00
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-5,6,6-trifluoro-cyclohexa-1,3-diene
CID 6422850
3-Chloro-1,5-difluorocyclohexa-1,3-diene
CID 17949369
1,6-Dichloro-6-fluorocyclohexa-1,4-diene
CID 18407280
1-Chloro-2-fluorocyclohexa-1,3-diene
CID 20321633
5,6-Dichloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 20570461
1,5-Dichloro-5-fluorocyclohexa-1,3-diene
CID 21655639
5-Chloro-5-fluorocyclohexa-1,3-diene
CID 21844842
2-Chloro-1-fluorocyclohexa-1,3-diene
CID 21958886
6-Chloro-1,2,6-trifluorocyclohexa-1,3-diene
CID 21975987
1-Chloro-5-fluorocyclohexa-1,3-diene
CID 22618260
5-Chloro-1,5-difluorocyclohexa-1,3-diene
CID 67677257
5,6-Dichloro-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 67727418

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-5,6-difluorocyclohexa-1,3-diene?
The IUPAC name of 5,6-dichloro-5,6-difluorocyclohexa-1,3-diene (CID 67764475) is 5,6-dichloro-5,6-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dichloro-5,6-difluorocyclohexa-1,3-diene?
The canonical SMILES for 5,6-dichloro-5,6-difluorocyclohexa-1,3-diene is FC1(Cl)C=CC=CC1(F)Cl.
What is the InChIKey of 5,6-dichloro-5,6-difluorocyclohexa-1,3-diene?
The InChIKey is HLSXTFPGCIVANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F2/c7-5(9)3-1-2-4-6(5,8)10/h1-4H.
What are the key properties of 5,6-dichloro-5,6-difluorocyclohexa-1,3-diene?
5,6-dichloro-5,6-difluorocyclohexa-1,3-diene has a molecular weight of 185.00 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-5,6-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 67764475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).