Summary

IMPPAT Phytochemical identifier: IMPHY017941

Phytochemical name: Heptadecyl ester heptafluorobutanoic acid

Synonymous chemical names:
heptadecyl ester heptafluorobutanoic acid

Chemical structure information

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

InChI:
InChI=1S/C21H35F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-18(29)19(22,23)20(24,25)21(26,27)28/h2-17H2,1H3

InChIKey:
JMANSDFHCFBZBM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCOC=O)CCCF)F)F))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: -0.194

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Chemical structure download