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N-(5-Ethynyl-2-methylphenyl)-2,2,2-trifluoroacetamide

HCID 57737207
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C#Cc1ccc(C)c(NC(=O)C(F)(F)F)c1
InChIKey
KAABYHHQHOMWKH-UHFFFAOYSA-N
Molecular formula
C11H8F3NO
Average molar mass
227.18 g/mol

Names & identifiers

Preferred name
N-(5-Ethynyl-2-methylphenyl)-2,2,2-trifluoroacetamide
IUPAC
N-(5-ethynyl-2-methylphenyl)-2,2,2-trifluoroacetamide

Names & synonyms

N-(5-Ethynyl-2-methylphenyl)-2,2,2-trifluoroacetamideSCHEMBL3539902

Database identifiers

PubChem CID
57737207

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
315

Related reactions

4 records
New reaction record
HRID 1117012 reaction equation
HRID 1117012As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1157630 reaction equation
HRID 1157630As productuspto-grants-2010_10
HRID 1157631 reaction equation
HRID 1157631As reactantuspto-grants-2010_10
HRID 2336344 reaction equation
HRID 2336344As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes