Ethyl 2-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-YL)phenylamino)acetate
Basic information
- CAS
1092460-58-6- Standard SMILES
CCOC(=O)CNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1- InChIKey
ORNBWJOTADGZDA-UHFFFAOYSA-N- Molecular formula
- C13H13F6NO3
- Average molar mass
- 345.24 g/mol
- Monoisotopic mass
- 345.07996225
Names & identifiers
- Preferred name
- Ethyl 2-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-YL)phenylamino)acetate
- IUPAC
- ethyl 2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]acetate
- English name
- Ethyl 3-bromo-7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
- Molecular formula
- C13H13F6NO3
- Molecular weight
- 345.24
Names & synonyms
1092460-58-6ETHYL 2-(4-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)PHENYLAMINO)ACETATEEthyl 2-((4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)acetateMFCD11867865ethyl 2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]acetateEthyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)glycinateC13H13F6NO3ORNBWJOTADGZDA-UHFFFAOYSA-NDTXSID101130538AR2861AKOS027334886SB82860
Show more names
Glycine, N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-, ethyl ester
AS-45462CS-0172358F306371Ethyl N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]glycinateethyl 2-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]anilino]acetateEthyl2-((4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)acetateN-[4-[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]glycine ethyl ester
Database identifiers
- CAS
1092460-58-6- PubChem CID
- 45926158
- DTXSID
DTXSID101130538
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 368.1 · 368.1±42.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.15(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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