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3,3'-(2-Phenylethene-1,1-diyl)bis((trifluoromethoxy)benzene)

HCID 59458604
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(F)(F)Oc1cccc(C(=Cc2ccccc2)c2cccc(OC(F)(F)F)c2)c1
InChIKey
IGIJYOXGBASGAG-UHFFFAOYSA-N
Molecular formula
C22H14F6O2
Average molar mass
424.3 g/mol

Names & identifiers

Preferred name
3,3'-(2-Phenylethene-1,1-diyl)bis((trifluoromethoxy)benzene)
IUPAC
1-[2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethenyl]-3-(trifluoromethoxy)benzene

Names & synonyms

3,3'-(2-phenylethene-1,1-diyl)bis((trifluoromethoxy)benzene)SCHEMBL7602443,3'- (2-phenylethene-1,1-diyl)bis((trifluoromethoxy)benzene)

Database identifiers

PubChem CID
59458604

Properties

Computed structural properties

XLogP
8.4
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
30
Formal charge
0
Complexity
527

Related reactions

4 records
New reaction record
HRID 238821 reaction equation
HRID 238821As productuspto-grants-2014_02
HRID 698885 reaction equation
HRID 698885As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1712786 reaction equation
HRID 1712786As productuspto-grants-2010_09
HRID 1874243 reaction equation
HRID 1874243As productuspto-grants-2012_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes