Summary

IMPPAT Phytochemical identifier: IMPHY017938

Phytochemical name: Octadecyl ester pentafluoropropionic acid

Synonymous chemical names:
octadecyl ester pentafluoropropionic acid

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)C(C(F)(F)F)(F)F

InChI:
InChI=1S/C21H37F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19(27)20(22,23)21(24,25)26/h2-18H2,1H3

InChIKey:
KNCMVQBRQJKYNM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCOC=O)CCF)F)F))F)F

Functional groups:
CF, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Alkyl halides

ClassyFire Subclass: Alkyl fluorides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.121

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Chemical structure download