Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018069

Phytochemical name: Heptadecyl trifluoroacetate

Synonymous chemical names:
Heptadecyl trifluoroacetate

External chemical identifiers:
CID:CID_14574252

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Chemical structure information

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

InChI:
InChI=1S/C19H35F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-18(23)19(20,21)22/h2-17H2,1H3

InChIKey:
CDOYOXVOYRQINU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCOC=O)CF)F)F

Functional groups:
COC(C)=O, CF

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Alpha-halocarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.046

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Chemical structure download