1-(2,4,5-Trifluorophenyl)-2-butyn-1-one

HCID 18376367
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Basic information

Standard SMILES
CC#CC(=O)c1cc(F)c(F)cc1F
InChIKey
SHQCBLJDCRXZMS-UHFFFAOYSA-N
Molecular formula
C10H5F3O
Average molar mass
198.14 g/mol

Names & identifiers

Preferred name
1-(2,4,5-Trifluorophenyl)-2-butyn-1-one
IUPAC
1-(2,4,5-trifluorophenyl)but-2-yn-1-one

Names & synonyms

1-(2,4,5-trifluorophenyl)-2-butyn-1-oneSCHEMBL6605209SHQCBLJDCRXZMS-UHFFFAOYSA-N

Database identifiers

PubChem CID
18376367

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Related reactions

2 records
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Compound notes

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