1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene

C7H2Cl4F4 — CID 88751368

IUPAC1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CC(Cl)=C(Cl)C(F)(Cl)C1Cl
InChIInChI=1S/C7H2Cl4F4/c8-3-1-2(7(13,14)15)4(9)6(11,12)5(3)10/h1,4H
InChIKeyRMOPHANDYKMGJV-UHFFFAOYSA-N
MW303.90 g/mol
LogP4.69
Rot. Bonds

About 1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene

1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 88751368) has the molecular formula C7H2Cl4F4 and a molecular weight of 303.90 g/mol. Its IUPAC name is 1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID88751368
Molecular FormulaC7H2Cl4F4
Molecular Weight303.90 g/mol
Exact Mass301.88
IUPAC Name1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CC(Cl)=C(Cl)C(F)(Cl)C1Cl
InChIInChI=1S/C7H2Cl4F4/c8-3-1-2(7(13,14)15)4(9)6(11,12)5(3)10/h1,4H
InChIKeyRMOPHANDYKMGJV-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.90
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene (CID 88751368) is 1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene is FC(F)(F)C1=CC(Cl)=C(Cl)C(F)(Cl)C1Cl.
What is the InChIKey of 1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is RMOPHANDYKMGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl4F4/c8-3-1-2(7(13,14)15)4(9)6(11,12)5(3)10/h1,4H.
What are the key properties of 1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene?
1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 303.90 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetrachloro-6-fluoro-4-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 88751368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).