# (5aS,10bR)-2-(Perfluorophenyl)-4,5a,6,10b-tetrahydro-2H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-11-ium tetrafluoroborate

CAS: 740816-14-2
PubChem CID: 11190533
InChIKey: CPCMDOOTVHDRTM-OUYNRQGDSA-N
Wikidata: Q82281379
Molecular formula: C₁₈H₁₁BF₉N₃O
Molar mass: 467.1 g/mol
IUPAC: (1R,9S)-4-(2,3,4,5,6-pentafluorophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene tetrafluoroborate
SMILES: [B-](F)(F)(F)F.C1[C@H]2[C@@H](C3=CC=CC=C31)[N+]4=CN(N=C4CO2)C5=C(C(=C(C(=C5F)F)F)F)F
InChI: InChI=1S/C18H11F5N3O.BF4/c19-12-13(20)15(22)18(16(23)14(12)21)26-7-25-11(24-26)6-27-10-5-8-3-1-2-4-9(8)17(10)25;2-1(3,4)5/h1-4,7,10,17H,5-6H2;/q+1;-1/t10-,17+;/m0./s1
PSA: 30.9 A^2
Hydrogen bond donors: 0
Hydrogen bond acceptors: 12
Rotatable bonds: 1
Heavy atoms: 32
3D structure: 43 atoms, 46 bonds

## About the compound

(5aS,10bR)-2-(Perfluorophenyl)-4,5a,6,10b-tetrahydro-2H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-11-ium tetrafluoroborate is a chemical compound registered under CAS number 740816-14-2. Molecular formula: C₁₈H₁₁BF₉N₃O. Molar mass: 467.1 g/mol. The full systematic IUPAC name is: (1R,9S)-4-(2,3,4,5,6-pentafluorophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene tetrafluoroborate. The molecule contains 43 atoms connected by 46 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molecule/740816-14-2/


## Synonyms

  - 740816-14-2
  - MFCD08459334
  - C18H11BF9N3O
  - SCHEMBL29918207
  - (1R,
  - AC-37518
  - SY251637
  - D74611
  - F870133

## Data sources

  - PubChem CID 11190533: https://pubchem.ncbi.nlm.nih.gov/compound/11190533
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=740816-14-2
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=740816-14-2

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