Basic information
- Standard SMILES
CC(C)(N)CCC[N+](=O)[O-].O=C(O)C(F)(F)F- InChIKey
MEFHKFKJYPCONY-UHFFFAOYSA-N- Molecular formula
- C8H15F3N2O4
- Average molar mass
- 260.21 g/mol
- Monoisotopic mass
- 260.09839145
Names & identifiers
- Preferred name
- 1,1-Dimethyl-4-nitro-butylamine trifluoroacetate
- IUPAC
- 2-methyl-5-nitropentan-2-amine;2,2,2-trifluoroacetic acid
Names & synonyms
1,1-Dimethyl-4-nitro-butylamine trifluoroacetateSCHEMBL6073742
Database identifiers
- PubChem CID
- 21931663
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 201
Related reactions
1 records
Compound notes
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