Summary

IMPPAT Phytochemical identifier: IMPHY017388

Phytochemical name: Tridecyl trifluoroacetate

Synonymous chemical names:
n-tridecyl ester trifluoroacetic acid

External chemical identifiers:
CID:536357

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Chemical structure information

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

InChI:
InChI=1S/C15H27F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14(19)15(16,17)18/h2-13H2,1H3

InChIKey:
DKWJQENYIDPCEX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCOC=O)CF)F)F

Functional groups:
CF, COC(C)=O

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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: -0.055

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Chemical structure download