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3-Fluoro-5-((trimethylsilyl)ethynyl)benzonitrile

HCID 16737211
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C[Si](C)(C)C#Cc1cc(F)cc(C#N)c1
InChIKey
DNCPRRALJDKXID-UHFFFAOYSA-N
Molecular formula
C12H12FNSi
Average molar mass
217.31 g/mol

Names & identifiers

Preferred name
3-Fluoro-5-((trimethylsilyl)ethynyl)benzonitrile
IUPAC
3-fluoro-5-(2-trimethylsilylethynyl)benzonitrile

Names & synonyms

SCHEMBL2767368SCHEMBL31242414DNCPRRALJDKXID-UHFFFAOYSA-N3-fluoro-5-((trimethylsilyl)ethynyl)benzonitrile

Database identifiers

PubChem CID
16737211

Properties

Computed structural properties

Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
335

Related reactions

6 records
New reaction record
HRID 17104 reaction equation
HRID 17104As productuspto-grants-2010_06
HRID 17114 reaction equation
HRID 17114As productuspto-grants-2010_06
HRID 689945 reaction equation
HRID 689945As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2135872 reaction equation
HRID 2135872As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2387707 reaction equation
HRID 2387707As productuspto-grants-2012_09
HRID 2387717 reaction equation
HRID 2387717As productuspto-grants-2012_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes