1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene

C8Cl4F6 — CID 88805355

IUPAC1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Cl)c(Cl)c(C(F)(F)F)c(Cl)c1Cl
InChIInChI=1S/C8Cl4F6/c9-3-1(7(13,14)15)4(10)6(12)2(5(3)11)8(16,17)18
InChIKeyVJTBPVNERWOXDH-UHFFFAOYSA-N
MW351.89 g/mol
LogP6.34
Rot. Bonds

About 1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene

1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene (PubChem CID 88805355) has the molecular formula C8Cl4F6 and a molecular weight of 351.89 g/mol. Its IUPAC name is 1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
PubChem CID88805355
Molecular FormulaC8Cl4F6
Molecular Weight351.89 g/mol
Exact Mass349.87
IUPAC Name1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Cl)c(Cl)c(C(F)(F)F)c(Cl)c1Cl
InChIInChI=1S/C8Cl4F6/c9-3-1(7(13,14)15)4(10)6(12)2(5(3)11)8(16,17)18
InChIKeyVJTBPVNERWOXDH-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.89
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

Octachlorostyrene
CID 34466
2,3,5,6-Tetrachloro-p-xylene
CID 13411
Alpha,alpha',2,3,5,6-hexachloro-4-xylene
CID 66179
p-Xylene, alpha,alpha,alpha',alpha',2,3,5,6-octachloro-
CID 137442
2,3,4,5,6-Pentachloro-2',3',4',5',6'-pentafluoro-1,1'-biphenyl
CID 12506187
1,2,3,4,5-Pentachloro-6-(trifluoromethyl)benzene
CID 14434854
Dichlortrifluor-(trifluormethyl)-benzol
CID 21183250
Decachloro-p-xylene
CID 623996
1,2,4,5-Tetrachloro-3-fluoro-6-methylbenzene
CID 21730264
Dichlorohexafluorostyrene
CID 129888266
Tetrachlor-phenylene ethylene
CID 18955868
Heptachloroparaxylene
CID 129677370

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene?
The IUPAC name of 1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene (CID 88805355) is 1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene?
The canonical SMILES for 1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene is FC(F)(F)c1c(Cl)c(Cl)c(C(F)(F)F)c(Cl)c1Cl.
What is the InChIKey of 1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene?
The InChIKey is VJTBPVNERWOXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl4F6/c9-3-1(7(13,14)15)4(10)6(12)2(5(3)11)8(16,17)18.
What are the key properties of 1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene?
1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene has a molecular weight of 351.89 g/mol, XLogP of 6.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene is sourced from PubChem (CID 88805355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).