1-(Trifluoroacetyl)azulene

HCID 4492013
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Basic information

Standard SMILES
O=C(c1ccc2cccccc1-2)C(F)(F)F
InChIKey
KFOVGJDAKMISLF-UHFFFAOYSA-N
Molecular formula
C12H7F3O
Average molar mass
224.18 g/mol

Names & identifiers

Preferred name
1-(Trifluoroacetyl)azulene
IUPAC
1-azulen-1-yl-2,2,2-trifluoroethanone

Names & synonyms

C12H7F3O1-(trifluoroacetyl)azulene1-azulen-1-yl-2,2,2-trifluoroethanoneSCHEMBL5163372KFOVGJDAKMISLF-UHFFFAOYSA-N1-(1-azulenyl)-2,2,2-trifluoroethanone

Database identifiers

PubChem CID
4492013

Properties

Computed structural properties

XLogP
4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Related reactions

1 records
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Linked notes

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