Basic information
- CAS
827346-17-8- Standard SMILES
O=C(n1cnnn1)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
CGQWZTBYMXVSCL-UHFFFAOYSA-N- Molecular formula
- C5HF7N4O
- Average molar mass
- 266.08 g/mol
- Monoisotopic mass
- 266.0038578
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,4-Heptafluoro-1-(1H-tetrazol-1-yl)butan-1-one
- IUPAC
- 2,2,3,3,4,4,4-heptafluoro-1-(tetrazol-1-yl)butan-1-one
Names & synonyms
827346-17-82,2,3,3,4,4,4-Heptafluoro-1-(1H-tetrazol-1-yl)butan-1-oneDTXSID90836794
Database identifiers
- CAS
827346-17-8- PubChem CID
- 71417455
- DTXSID
DTXSID90836794
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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