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

HCID 59305331
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C[Si](C)(C)C#Cc1ccc(F)c(C#N)c1
InChIKey
HPXYYNZACFQFGM-UHFFFAOYSA-N
Molecular formula
C12H12FNSi
Average molar mass
217.31 g/mol

Names & identifiers

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

Names & synonyms

2-Fluoro-5-((trimethylsilyl)ethynyl)benzonitrileSCHEMBL2794339HPXYYNZACFQFGM-UHFFFAOYSA-N2-Fluoro-5-trimethylsilanylethynyl-benzonitrile

Database identifiers

PubChem CID
59305331

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

7 records
New reaction record
HRID 240754 reaction equation
HRID 240754As productuspto-grants-2014_02
HRID 240755 reaction equation
HRID 240755As reactantuspto-grants-2014_02
HRID 1556143 reaction equation
HRID 1556143As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1752542 reaction equation
HRID 1752542As productuspto-grants-2015_10
HRID 1752543 reaction equation
HRID 1752543As reactantuspto-grants-2015_10
HRID 2240940 reaction equation
HRID 2240940As productuspto-grants-2010_05
HRID 2240941 reaction equation
HRID 2240941As reactantuspto-grants-2010_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes