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Chemical structure of 4,4'-Dimethoxyoctafluorobiphenyl

GC42323

4,4'-Dimethoxyoctafluorobiphenyl

Also known as 1,2,4,5-tetrafluoro-3-methoxy-6-(2,3,5,6-tetrafluoro-4-methoxyphenyl)benzene

4,4'-Dimethoxyoctafluorobiphenyl is a compound that has been used to investigate the relationship between intramolecular rotational dynamics and molecular and crystal structure using NMR spin-lattice relaxation experiments

ChemicalCAS2200-71-7MW358.2FormulaC14H6F8O2
CAS number
2200-71-7
Molecular weight
358.2
Formula
C14H6F8O2
Solubility
DMF： 30 mg/mL,DMSO： 20 mg/mL,Ethanol： 30 mg/mL,Ethanol：PBS (pH 7·2)(1：2)： 0·3 mg/mL
InChIKey
TVUPJKALGKCABC-UHFFFAOYSA-N
Catalogue number
GC42323
Brand
GLPBIO
Computed properties PubChem CID 262954 · XLogP 4.3 · TPSA 18.5 Ų · H-bond donors 0
XLogP
4.3
TPSA
18.5 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
24

SMILES COC1=C(C(=C(C(=C1F)F)C2=C(C(=C(C(=C2F)F)OC)F)F)F)F

Computed descriptors from PubChem (CID 262954), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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