Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester
Basic information
- CAS
680-08-0- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
HXVWSPYWLBVECZ-UHFFFAOYSA-N- Molecular formula
- C10H12F6O5
- Average molar mass
- 326.19 g/mol
- Monoisotopic mass
- 326.05889245
Names & identifiers
- Preferred name
- Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester
- IUPAC
- diethyl 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)propanedioate
- English name
- [2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]malonic acid diethyl ester
- Molecular formula
- C10H12F6O5
- Molecular weight
- 326.19
Names & synonyms
BRN 1915911680-08-0MALONIC ACID, (1-HYDROXY-2,2,2-TRIFLUORO-1-TRIFLUOROMETHYL)ETHYL-, DIETHYL ESTERDTXSID702181901-Hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)malonic acid diethyl esterRefChem:351831DTXCID90140681diethyl (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)propanedioateDiethyl 2-[1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonatePropanedioic acid,?2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-,?diethyl ester[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]malonic acid diethyl esterPropanedioic acid, 2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-, 1,3-diethyl ester
Database identifiers
- CAS
680-08-0- PubChem CID
- 12677
- DTXSID
DTXSID70218190- Nikkaji
- J41.611H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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