3,3,4,4,5,5,5-Heptafluoro-1-nitropentan-2-ol
Basic information
- CAS
377-61-7- Standard SMILES
O=[N+]([O-])CC(O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ZXFRDGBMIGOQJL-UHFFFAOYSA-N- Molecular formula
- C5H4F7NO3
- Average molar mass
- 259.08 g/mol
- Monoisotopic mass
- 259.00794012
Names & identifiers
- Preferred name
- 3,3,4,4,5,5,5-Heptafluoro-1-nitropentan-2-ol
- IUPAC
- 3,3,4,4,5,5,5-heptafluoro-1-nitropentan-2-ol
Names & synonyms
3,3,4,4,5,5,5-heptafluoro-1-nitropentan-2-ol377-61-7DTXSID50308644RefChem:270009DTXCID20259770NSC206205ZXFRDGBMIGOQJL-UHFFFAOYSA-NNSC-206205
Database identifiers
- CAS
377-61-7- PubChem CID
- 307885
- DTXSID
DTXSID50308644
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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