1-Nitro-2-(2,2,2-trifluoroethyl)guanidine
Basic information
- CAS
459-79-0- Standard SMILES
NC(=NCC(F)(F)F)N[N+](=O)[O-]- InChIKey
WOFHDTDNHHCURG-UHFFFAOYSA-N- Molecular formula
- C3H5F3N4O2
- Average molar mass
- 186.09 g/mol
- Monoisotopic mass
- 186.0364599
Names & identifiers
- Preferred name
- 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine
- IUPAC
- 1-nitro-2-(2,2,2-trifluoroethyl)guanidine
Names & synonyms
459-79-01-nitro-2-(2,2,2-trifluoroethyl)guanidineDTXSID50328721NSC48608NSC-48608N-NITRO-N''-(2,2,2-TRIFLUOROETHYL)GUANIDINE
Database identifiers
- CAS
459-79-0- PubChem CID
- 413480
- DTXSID
DTXSID50328721
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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