0TI

(3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one

Created:2016-03-16
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count1
Bond Count19
Aromatic Bond Count6
2D diagram of 0TI

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Chemical Component Summary

Name(3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one
Systematic Name (OpenEye OEToolkits)(3R)-5-fluoranyl-3-oxidanyl-1,3-dihydroindol-2-one
FormulaC8 H6 F N O2
Molecular Weight167.137
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2cc1NC(=O)C(O)c1cc2F
SMILESCACTVS3.385O[CH]1C(=O)Nc2ccc(F)cc12
SMILESOpenEye OEToolkits1.7.6c1cc2c(cc1F)C(C(=O)N2)O
Canonical SMILESCACTVS3.385 O[C@H]1C(=O)Nc2ccc(F)cc12
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc2c(cc1F)[C@H](C(=O)N2)O
InChIInChI1.03 InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m1/s1
InChIKeyInChI1.03 XYDTZHMQTYEJQN-SSDOTTSWSA-N

Related Resource References

Resource NameReference
PubChem 6926189