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- ChemComp-W65: 2,2-bis(fluoranyl)-1-phenyl-ethanone -

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Basic information

EntryDatabase: PDB chemical components / ID: W65
NameName: 2,2-bis(fluoranyl)-1-phenyl-ethanone

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Chemical information

Composition
Formula: C8H6F2O / Number of atoms: 17 / Formula weight: 156.129 / Formal charge: 0
Others

8ozv

Type: non-polymer / PDB classification: HETAIN / Three letter code: W65 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8OZV
History
Create componentMay 9, 2023
Initial releaseAug 30, 2023
External linksUniChem / ChemSpider / Brenda / ChemicalBook / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385FC(F)C(=O)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)C(F)F

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SMILES CANONICAL

CACTVS 3.385FC(F)C(=O)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)C(F)F

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InChI

InChI 1.06InChI=1S/C8H6F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H

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InChIKey

InChI 1.06OLYKCPDTXVZOQF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8ozv:
Imine Reductase from Ajellomyces dermatitidis in complex with 2,2-difluoroacetophenone

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