Basic information
- CAS
848926-12-5- Standard SMILES
O[C@H](c1ccc(F)cc1)C(F)(F)F- InChIKey
BDQHSIMDNYIOMB-SSDOTTSWSA-N- Molecular formula
- C8H6F4O
- Average molar mass
- 194.13 g/mol
Names & identifiers
- Preferred name
- (1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethan-1-ol
- IUPAC
- (1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol
Names & synonyms
848926-12-5(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethan-1-olRefChem:393035959-247-6(R)-2,2,2-Trifluoro-1-(4-fluorophenyl)ethan-1-ol(R)-alpha-(Trifluoromethyl)-4-fluorobenzenemethanolSCHEMBL1273068MFCD22741885SY477664H810512,2,2-trifluoro-1(R)-(4-fluorophenyl)ethanolEN300-1929548
Show more names
(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol(R)-2,2,2-Trifluoro-1-(4-fluorophenyl)ethanol2,2,2-trifluoro-1 (R)-(4-fluorophenyl)ethanol
Database identifiers
- CAS
848926-12-5- PubChem CID
- 12640348
- EC Number
- 959-247-6
- Nikkaji
- J371.093I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
11 records
Compound notes
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