Summary

IMPPAT Phytochemical identifier: IMPHY017069

Phytochemical name: 1-Propene, 3,3,3-trifluoro-2-methyl-

Synonymous chemical names:
1-propene,3,3,3-trifluoro-2-methyl

External chemical identifiers:
CID:136214, ZINC:ZINC000002584258, SureChEMBL:SCHEMBL347823

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Chemical structure information

SMILES:
CC(=C)C(F)(F)F

InChI:
InChI=1S/C4H5F3/c1-3(2)4(5,6)7/h1H2,2H3

InChIKey:
VJOAJCOCCYFXPR-UHFFFAOYSA-N

DeepSMILES:
CC=C)CF)F)F

Functional groups:
C=C(C)C, CF

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organofluorides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 0.065

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Chemical structure download