Basic information
- CAS
87432-81-3- Standard SMILES
CC(C)(C)c1ccnc(C(O)(C(F)(F)F)C(F)(F)F)c1- InChIKey
JQOCMXKPCSSXPW-UHFFFAOYSA-N- Molecular formula
- C12H13F6NO
- Average molar mass
- 301.23 g/mol
- Monoisotopic mass
- 301.09013301
Names & identifiers
- Preferred name
- 2-(4-Tert-butylpyridin-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
- IUPAC
- 2-(4-tert-butyl-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Names & synonyms
87432-81-32-(4-tert-butylpyridin-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-olNSC362464DTXSID203310801,1,1,3,3,3-hexafluoro-2-(4-tert-butylpyridin-2-yl)propan-2-olNSC-362464DS-0081372-Pyridinemethanol,?4-(1,1-dimethylethyl)-.alpha.,.alpha.-bis(trifluoromethyl)-
Database identifiers
- CAS
87432-81-3- PubChem CID
- 435005
- DTXSID
DTXSID20331080- Nikkaji
- J2.705.261D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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