Diethyl formamido(4,4,4-trifluoro-3-methylbutyl)propanedioate
Basic information
- CAS
5463-84-3- Standard SMILES
CCOC(=O)C(CCC(C)C(F)(F)F)(NC=O)C(=O)OCC- InChIKey
HQHPRVDCQZJHIN-UHFFFAOYSA-N- Molecular formula
- C13H20F3NO5
- Average molar mass
- 327.3 g/mol
- Monoisotopic mass
- 327.12935722
Names & identifiers
- Preferred name
- Diethyl formamido(4,4,4-trifluoro-3-methylbutyl)propanedioate
- IUPAC
- diethyl 2-formamido-2-(4,4,4-trifluoro-3-methylbutyl)propanedioate
Names & synonyms
5463-84-3NSC22087DTXSID80281597Diethyl formamido(4,4,4-trifluoro-3-methylbutyl)propanedioateNSC-22087
Database identifiers
- CAS
5463-84-3- PubChem CID
- 228905
- DTXSID
DTXSID80281597
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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