4,4,5,5,6,6,7,7-Octafluoro-1-phenylhept-1-yn-3-ol
Basic information
- CAS
111832-10-1- Standard SMILES
OC(C#Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)F- InChIKey
MLSFTDKKPYZVSO-UHFFFAOYSA-N- Molecular formula
- C13H8F8O
- Average molar mass
- 332.19 g/mol
- Monoisotopic mass
- 332.04474017
Names & identifiers
- Preferred name
- 4,4,5,5,6,6,7,7-Octafluoro-1-phenylhept-1-yn-3-ol
- IUPAC
- 4,4,5,5,6,6,7,7-octafluoro-1-phenylhept-1-yn-3-ol
Names & synonyms
111832-10-14,4,5,5,6,6,7,7-Octafluoro-1-phenylhept-1-yn-3-olDTXSID90547050
Database identifiers
- CAS
111832-10-1- PubChem CID
- 13699607
- DTXSID
DTXSID90547050
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
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Compound notes
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