Basic information
- CAS
102367-00-0- Standard SMILES
Cn1c(CC(O)(C(F)(F)F)C(F)(F)F)ccc1CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
MJRYNABQHBHRPX-UHFFFAOYSA-N- Molecular formula
- C13H11F12NO2
- Average molar mass
- 441.21 g/mol
- Monoisotopic mass
- 441.0598165
Names & identifiers
- Preferred name
- 2,5-Pyrrolediethanol, 1-methyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-
- IUPAC
- 1,1,1,3,3,3-hexafluoro-2-[[1-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrrol-2-yl]methyl]propan-2-ol
Names & synonyms
2,5-Pyrrolediethanol, 1-methyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-102367-00-02,5-Bis((2-hydroxy-3,3,3-trifluoro-2-trifluoromethyl)propyl)-1-methylpyrroleDTXSID50144948RefChem:247757DTXCID9067439NSC162058NSC-1620581,1'-(1-Methyl-1H-pyrrole-2,5-diyl)bis[3,3,3-trifluoro-2-(trifluoromethyl)propan-2-ol]1H-Pyrrole-2,5-diethanol, 1-methyl-.alpha.,.alpha.,.alpha.',.alpha.'-tetrakis(trifluoromethyl)-
Database identifiers
- CAS
102367-00-0- PubChem CID
- 294102
- DTXSID
DTXSID50144948- Nikkaji
- J87.071D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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