Basic information
- CAS
1644-09-3- Standard SMILES
CCOC(=O)C1OC1(C(F)(F)F)C(F)(F)F- InChIKey
IXIGUVGFMZBIAG-UHFFFAOYSA-N- Molecular formula
- C7H6F6O3
- Average molar mass
- 252.11 g/mol
- Monoisotopic mass
- 252.02211302
Names & identifiers
- Preferred name
- Ethyl 3,3-bis(trifluoromethyl)oxirane-2-carboxylate
- IUPAC
- ethyl 3,3-bis(trifluoromethyl)oxirane-2-carboxylate
Names & synonyms
1644-09-3ethyl 3,3-bis(trifluoromethyl)oxirane-2-carboxylateNSC309811DTXSID40316975IXIGUVGFMZBIAG-UHFFFAOYSA-N2-Oxiranecarboxylicacid, 3,3-bis(trifluoromethyl)-, ethyl esterNSC-309811DS-0043232-Oxiranecarboxylic?acid, 3,3-bis(trifluoromethyl)-, ethyl ester
Database identifiers
- CAS
1644-09-3- PubChem CID
- 328876
- DTXSID
DTXSID40316975
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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