4-(4-Bromo-2-fluorophenylethynyl)-4,4'-dipentylbicyclohexyl

HCID 22013388
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Basic information

Standard SMILES
CCCCCC1CCC(C2CCC(C#Cc3ccc(Br)cc3F)(CCCCC)CC2)CC1
InChIKey
OZBCBEVISDNCEJ-UHFFFAOYSA-N
Molecular formula
C30H44BrF
Average molar mass
503.6 g/mol
Monoisotopic mass
502.26104

Names & identifiers

Preferred name
4-(4-Bromo-2-fluorophenylethynyl)-4,4'-dipentylbicyclohexyl
IUPAC
4-bromo-2-fluoro-1-[2-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene

Names & synonyms

SCHEMBL6888745OZBCBEVISDNCEJ-UHFFFAOYSA-N4-(4-bromo-2-fluorophenylethynyl)-4,4'-dipentylbicyclohexyl

Database identifiers

PubChem CID
22013388

Properties

Computed structural properties

XLogP
13.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
11
Heavy atoms
32

Related reactions

3 records
New reaction record

Compound notes

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