1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene

C7Cl4F4 — CID 13416584

IUPAC1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene
SMILESFc1c(F)c(C(Cl)(Cl)Cl)c(F)c(F)c1Cl
InChIInChI=1S/C7Cl4F4/c8-2-5(14)3(12)1(7(9,10)11)4(13)6(2)15
InChIKeyGGBCTOAVNZOKCQ-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.72
Rot. Bonds

About 1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene

1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene (PubChem CID 13416584) has the molecular formula C7Cl4F4 and a molecular weight of 301.88 g/mol. Its IUPAC name is 1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene
PubChem CID13416584
Molecular FormulaC7Cl4F4
Molecular Weight301.88 g/mol
Exact Mass299.87
IUPAC Name1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene
SMILESFc1c(F)c(C(Cl)(Cl)Cl)c(F)c(F)c1Cl
InChIInChI=1S/C7Cl4F4/c8-2-5(14)3(12)1(7(9,10)11)4(13)6(2)15
InChIKeyGGBCTOAVNZOKCQ-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene?
The IUPAC name of 1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene (CID 13416584) is 1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene.
What is the SMILES notation for 1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene?
The canonical SMILES for 1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene is Fc1c(F)c(C(Cl)(Cl)Cl)c(F)c(F)c1Cl.
What is the InChIKey of 1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene?
The InChIKey is GGBCTOAVNZOKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl4F4/c8-2-5(14)3(12)1(7(9,10)11)4(13)6(2)15.
What are the key properties of 1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene?
1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene has a molecular weight of 301.88 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene is sourced from PubChem (CID 13416584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).