NX7

(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone

Created:2019-05-29
Last modified:  2019-07-10

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count6
2D diagram of NX7

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Chemical Component Summary

Name(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
Systematic Name (OpenEye OEToolkits)[2,6-bis(fluoranyl)phenyl]-pyrrolidin-1-yl-methanone
FormulaC11 H11 F2 N O
Molecular Weight211.208
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cccc(c1C(=O)N2CCCC2)F)F
SMILESCACTVS3.385Fc1cccc(F)c1C(=O)N2CCCC2
SMILESOpenEye OEToolkits2.0.6c1cc(c(c(c1)F)C(=O)N2CCCC2)F
Canonical SMILESCACTVS3.385 Fc1cccc(F)c1C(=O)N2CCCC2
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(c(c(c1)F)C(=O)N2CCCC2)F
InChIInChI1.03 InChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2
InChIKeyInChI1.03 WKDBMZQECSVNDS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 588246
ChEMBL CHEMBL1450678