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W6X

Summary
Name:1,1,1-tris(fluoranyl)propan-2-one
Formula:C3 H3 F3 O
Formal charge:0
Formula weight:112.051 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71,1,1-tris(fluoranyl)propan-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
InChIKeyInChI1.03FHUDAMLDXFJHJE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)C(F)(F)F
SMILESCACTVS3.385CC(=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(=O)C(F)(F)F

222415

PDB entries from 2024-07-10

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