Basic information
- CAS
307929-66-4- Standard SMILES
COC(=O)c1nnn(C(F)(F)C(F)(F)C(=O)OC)c1C(=O)OC- InChIKey
DVBCMXGMMOQAKV-UHFFFAOYSA-N- Molecular formula
- C10H9F4N3O6
- Average molar mass
- 343.19 g/mol
- Monoisotopic mass
- 343.04274766
Names & identifiers
- Preferred name
- 1-(1,1,2,2-Tetrafluoro-2-methoxycarbonylethyl)-4,5-bis(methoxycarbonyl)-1,2,3-triazole
- IUPAC
- dimethyl 1-(1,1,2,2-tetrafluoro-3-methoxy-3-oxopropyl)triazole-4,5-dicarboxylate
Names & synonyms
DVBCMXGMMOQAKV-UHFFFAOYSA-NDTXSID9013534171-(1,1,2,2-Tetrafluoro-2-methoxycarbonylethyl)-4,5-bis(methoxycarbonyl)-1,2,3-triazole1-(2-Methoxycarbonylperfluoroethyl)-4,5-bis(methoxycarbonyl)-1,2,3-triazole307929-66-4Dimethyl 1-(1,1,2,2-tetrafluoro-3-methoxy-3-oxopropyl)-1H-1,2,3-triazole-4,5-dicarboxylate #
Database identifiers
- CAS
307929-66-4- PubChem CID
- 548138
- DTXSID
DTXSID901353417
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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