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W6Z

Summary
Name:1,1,1-tris(fluoranyl)propane-2,2-diol
Formula:C3 H5 F3 O2
Formal charge:0
Formula weight:130.066 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71,1,1-tris(fluoranyl)propane-2,2-diol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C3H5F3O2/c1-2(7,8)3(4,5)6/h7-8H,1H3
InChIKeyInChI1.03BQAKXJSYMYZORI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(O)(O)C(F)(F)F
SMILESCACTVS3.385CC(O)(O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C(F)(F)F)(O)O
SMILESOpenEye OEToolkits2.0.7CC(C(F)(F)F)(O)O

227344

PDB entries from 2024-11-13

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