Basic information
- CAS
20165-38-2- Standard SMILES
O=[N+]([O-])C(F)(F)C(F)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
YZXMNZPACCLUCJ-UHFFFAOYSA-N- Molecular formula
- C2F3N3O6
- Average molar mass
- 219.03 g/mol
- Monoisotopic mass
- 218.97391921
Names & identifiers
- Preferred name
- 1,1,2-Trifluorotrinitroethane
- IUPAC
- 1,1,2-trifluoro-1,2,2-trinitroethane
- English name
- 1,1,2-Trifluorotrinitroethane
- Molecular formula
- C2F3N3O6
- Molecular weight
- 219.03
Names & synonyms
1,1,2-Trifluorotrinitroethane20165-38-21,1,2-trifluoro-1,2,2-trinitroethaneDTXSID10173996ethane, 1,1,2-trifluoro-1,2,2-trinitro-
Database identifiers
- CAS
20165-38-2- PubChem CID
- 140647
- DTXSID
DTXSID10173996
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 127.99 °C · 127.99°C (rough estimate)
- Density
- 1.882 · 1.882±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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