IGB

(2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid

Created: 2022-03-18
Last modified:  2022-10-12

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count1
Bond Count20
Aromatic Bond Count0
2D diagram of IGB

Chemical Component Summary

Name(2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid
Synonyms2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoic acid
Systematic Name (OpenEye OEToolkits)(2~{R})-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid
FormulaC6 H F11 O3
Molecular Weight330.053
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC(=O)[C](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O
Canonical SMILESCACTVS3.385 OC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.7 C(=O)([C@@](C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O
InChIInChI1.06 InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)/t2-/m0/s1
InChIKeyInChI1.06 CSEBNABAWMZWIF-REOHCLBHSA-N

Related Resource References

Resource NameReference
PubChem 94842265