(1R)-4-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
Basic information
- CAS
1202577-82-9- Standard SMILES
O[C@@H]1CCc2c1cccc2C(F)(F)F- InChIKey
WYRONQVMJMJUKG-SECBINFHSA-N- Molecular formula
- C10H9F3O
- Average molar mass
- 202.17 g/mol
- Monoisotopic mass
- 202.06054939
Names & identifiers
- Preferred name
- (1R)-4-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
- IUPAC
- (1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
- English name
- (1S)-4-(Trifluoromethyl)indan-1-ol, (1S)-2,3-Dihydro-4-(trifluoromethyl)-1H-inden-1-ol, (1S)-2,3-Dihydro-1-hydroxy-4-(trifluoromethyl)-1H-indene
- Molecular formula
- C10H9F3O
- Molecular weight
- 202.17
Names & synonyms
(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-olDTXSID30744329RefChem:204923DTXCID206950731202577-82-91313277-06-3(R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-olSCHEMBL15531953(R)-4-trifluoromethylindan-1-ol4-TrifluoroMethyl-indan-1-ol(1S)-4-(trifluoromethyl)indan-1-ol(1S)-1-Hydroxy-4-(trifluoromethyl)indane
Show more names
(1S)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol1H-Inden-1-ol, 2,3-dihydro-4-(trifluoromethyl)-, (1S)-(1S)-4-(Trifluoromethyl)indan-1-ol, (1S)-2,3-Dihydro-4-(trifluoromethyl)-1H-inden-1-ol, (1S)-2,3-Dihydro-1-hydroxy-4-(trifluoromethyl)-1H-indene
Database identifiers
- CAS
1202577-82-9- PubChem CID
- 71299622
- DTXSID
DTXSID30744329- EC Number
- 807-804-8
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 227.386 · 227.386±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.018 · 14.018±0.20(predicted)
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2932990090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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