Summary

IMPPAT Phytochemical identifier: IMPHY015888

Phytochemical name: Perfluorotributylamine

Synonymous chemical names:
perfluorotributylamine

External chemical identifiers:
CID:9397, ChEBI:38854, ZINC:ZINC000087515293, FDASRS:3702Y1HQ6O, SureChEMBL:SCHEMBL36219, MolPort-000-158-131

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Chemical structure information

SMILES:
FC(C(C(C(F)(F)F)(F)F)(F)F)(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F

InChI:
InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33

InChIKey:
RVZRBWKZFJCCIB-UHFFFAOYSA-N

DeepSMILES:
FCCCCF)F)F))F)F))F)F))NCCCCF)F)F))F)F))F)F))F)F))CCCCF)F)F))F)F))F)F))F)F)))F

Functional groups:
CF, CN(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Nitrogen mustard compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: -0.203

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Chemical structure download