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4''-Butyl-2,2',3,3'-tetrafluoro-4-(2,2,2-trifluoroethoxy)-1,1':4',1''-terphenyl

HCID 175686049
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCc1ccc(-c2ccc(-c3ccc(OCC(F)(F)F)c(F)c3F)c(F)c2F)cc1
InChIKey
VRXVRHVZBGMYNP-UHFFFAOYSA-N
Molecular formula
C24H19F7O
Average molar mass
456.4 g/mol
Monoisotopic mass
456.13241236

Names & identifiers

Preferred name
4''-Butyl-2,2',3,3'-tetrafluoro-4-(2,2,2-trifluoroethoxy)-1,1':4',1''-terphenyl
IUPAC
1-(4-butylphenyl)-4-[2,3-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2,3-difluorobenzene

Names & synonyms

4''-butyl-2,2',3,3'-tetrafluoro-4-(2,2,2-trifluoroethoxy)-1,1':4',1''-terphenyl4tFEtOteFTDTXSID601380067

Database identifiers

PubChem CID
175686049
DTXSID
DTXSID601380067

Properties

Computed structural properties

XLogP
8.5
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Formal charge
0
Complexity
563

Related reactions

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Compound notes

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