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

C7H3Cl4F3 — CID 23303962

IUPAC1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CC(Cl)=C(Cl)C(Cl)C1Cl
InChIInChI=1S/C7H3Cl4F3/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1,4,6H
InChIKeyCHTPFMHWRHFVPQ-UHFFFAOYSA-N
MW285.91 g/mol
LogP4.39
Rot. Bonds

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

1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 23303962) has the molecular formula C7H3Cl4F3 and a molecular weight of 285.91 g/mol. Its IUPAC name is 1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID23303962
Molecular FormulaC7H3Cl4F3
Molecular Weight285.91 g/mol
Exact Mass283.89
IUPAC Name1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CC(Cl)=C(Cl)C(Cl)C1Cl
InChIInChI=1S/C7H3Cl4F3/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1,4,6H
InChIKeyCHTPFMHWRHFVPQ-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.91
LogP ≤ 54.39
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-4-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene (CID 23303962) is 1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene is FC(F)(F)C1=CC(Cl)=C(Cl)C(Cl)C1Cl.
What is the InChIKey of 1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is CHTPFMHWRHFVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl4F3/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1,4,6H.
What are the key properties of 1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene?
1,2,5,6-tetrachloro-4-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 285.91 g/mol, XLogP of 4.39, 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-4-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 23303962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).