2-Propanol, 2-(1-adamantylamino)-1,1,1,3,3,3-hexafluoro-, sesquihydrate
Basic information
- CAS
63765-69-5- Standard SMILES
O.O.O.OC(NC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F.OC(NC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F- InChIKey
GZHWMCJYRBYPMP-UHFFFAOYSA-N- Molecular formula
- C26H40F12N2O5
- Average molar mass
- 688.6 g/mol
- Monoisotopic mass
- 688.2745603
Names & identifiers
- Preferred name
- 2-Propanol, 2-(1-adamantylamino)-1,1,1,3,3,3-hexafluoro-, sesquihydrate
- IUPAC
- bis(2-(1-adamantylamino)-1,1,1,3,3,3-hexafluoropropan-2-ol);trihydrate
Names & synonyms
2-(1-Adamantylamino)-1,1,1,3,3,3-hexafluoro-2-propanol sesquihydrate63765-69-5DTXSID702132062-Propanol, 2-(1-adamantylamino)-1,1,1,3,3,3-hexafluoro-, sesquihydrateRefChem:265963DTXCID301356972-(1-Adamantylamino)-1,1,1,3,3,3-hexafluoro-2-propanol, sesquihydrate2-[(Adamantan-1-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-ol--water (2/3)2-Propanol, 1,1,1,3,3,3-hexafluoro-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)-, hydrate (2:3)
Database identifiers
- CAS
63765-69-5- PubChem CID
- 64444
- DTXSID
DTXSID70213206
Properties
Computed structural properties
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 4
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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