Basic information
- CAS
34844-43-4- Standard SMILES
OC1c2ccccc2CCC1C(O)(C(F)(F)F)C(F)(F)F- InChIKey
XIRXXXXJQVXTQG-UHFFFAOYSA-N- Molecular formula
- C13H12F6O2
- Average molar mass
- 314.22 g/mol
- Monoisotopic mass
- 314.07414859
Names & identifiers
- Preferred name
- 1-Naphthol, 1,2,3,4-tetrahydro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-
- IUPAC
- 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
Names & synonyms
1-NAPHTHOL, 1,2,3,4-TETRAHYDRO-2-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXY-2-PROPYL)-34844-43-4RefChem:1056049NSC664183BRN 20014231,2,3,4-Tetrahydro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-1-naphthol2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl)ethyl-1,2,3,4-tetrahydro-1-naphtholCHEMBL2001003DTXSID30956324NSC-664183NCI60_022083
Show more names
2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]tetralin-1-ol2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-1,2,3,4-tetrahydro-1-naphthalenol
Database identifiers
- CAS
34844-43-4- PubChem CID
- 36948
- DTXSID
DTXSID30956324- ChEMBL
CHEMBL2001003- Nikkaji
- J61.685K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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