# (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](https://pubchem.ncbi.nlm.nih.gov/compound/11190533)  
**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`  
**InChIKey:** `CPCMDOOTVHDRTM-OUYNRQGDSA-N`  
**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`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 30.9 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 12 |
| Rotatable bonds | 1 |
| Heavy atoms | 32 |

## 3D structure

The molecule contains 43 atoms connected by 46 chemical bonds. Interactive 3D model 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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- Canonical: https://molgod.org/molecule/740816-14-2/

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**How to cite:** MolGod.org. "(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)." Last modified 2026-09-03. https://molgod.org/molecule/740816-14-2/ — for a chemical fact, cite its primary source (PubChem CID 11190533); for a 3D model file, cite its MolGod ID, the variant and the SHA-256 from its licence record.

*Last updated: 2026-09-03 · Generator: MOL-GOD v3.12.33*