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44B

Summary
Name:1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL
Formula:C11 H8 F9 N O
Formal charge:0
Formula weight:341.173 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol
OpenEye OEToolkits1.5.01,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)C(O)(c1ccc(NCC(F)(F)F)cc1)C(F)(F)F
SMILES_CANONICALCACTVS3.341OC(c1ccc(NCC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
SMILESCACTVS3.341OC(c1ccc(NCC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F
InChIInChI1.03InChI=1S/C11H8F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h1-4,21-22H,5H2
InChIKeyInChI1.03VHDRSZOHKKZOQF-UHFFFAOYSA-N

222415

數據於2024-07-10公開中

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