Summary

IMPPAT Phytochemical identifier: IMPHY013052

Phytochemical name: 1,3-Difluoroazulene

Synonymous chemical names:
1,3-difluoroazulene

External chemical identifiers:
CID:11446520

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Chemical structure information

SMILES:
Fc1cc(c2-c1ccccc2)F

InChI:
InChI=1S/C10H6F2/c11-9-6-10(12)8-5-3-1-2-4-7(8)9/h1-6H

InChIKey:
QRLFAXXSBBEEED-UHFFFAOYSA-N

DeepSMILES:
Fcccc-c5ccccc7)))))))F

Functional groups:
cF

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2cccc-2cc1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.928

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Chemical structure download