5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-3-yn-2-ol
Basic information
- CAS
82721-70-8- Standard SMILES
CC(C)(O)C#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
QKCPSNHEDGQGDH-UHFFFAOYSA-N- Molecular formula
- C11H7F13O
- Average molar mass
- 402.15 g/mol
- Monoisotopic mass
- 402.0289309
Names & identifiers
- Preferred name
- 5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-3-yn-2-ol
- IUPAC
- 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-3-yn-2-ol
Names & synonyms
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-3-yn-2-ol82721-70-8NSC367277SCHEMBL674119DTXSID60331105NSC-367277
Database identifiers
- CAS
82721-70-8- PubChem CID
- 435301
- DTXSID
DTXSID60331105
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 572
Suppliers
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Related reactions
1 records
Compound notes
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