Summary

IMPPAT Phytochemical identifier: IMPHY016444

Phytochemical name: 4-Trifluoroacetoxytetradecane

Synonymous chemical names:
4-trifluoroacetoxytetradecane

External chemical identifiers:
CID:543276

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Chemical structure information

SMILES:
CCCCCCCCCCC(OC(=O)C(F)(F)F)CCC

InChI:
InChI=1S/C16H29F3O2/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)21-15(20)16(17,18)19/h14H,3-13H2,1-2H3

InChIKey:
KZJLVDJODJVDLQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCOC=O)CF)F)F))))CCC

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: 0.594

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Chemical structure download