2-[3-(Trifluoromethyl)phenoxymethyl]oxirane
Basic information
- CAS
585-45-5- Standard SMILES
FC(F)(F)c1cccc(OCC2CO2)c1- InChIKey
NBXFAQFMTDGEQN-UHFFFAOYSA-N- Molecular formula
- C10H9F3O2
- Average molar mass
- 218.17 g/mol
- Monoisotopic mass
- 218.05546401
Names & identifiers
- Preferred name
- 2-[3-(Trifluoromethyl)phenoxymethyl]oxirane
- IUPAC
- 2-[[3-(trifluoromethyl)phenoxy]methyl]oxirane
Names & synonyms
2-[3-(trifluoromethyl)phenoxymethyl]oxirane585-45-52-[[3-(trifluoromethyl)phenoxy]methyl]oxirane2-{[3-(trifluoromethyl)phenoxy]methyl}oxirane2-((3-(Trifluoromethyl)phenoxy)methyl)oxiraneTravoprost Impurity 34NSC309812SCHEMBL5513268AAA58545AKOS000212521NSC-309812NCGC00665384-01
Show more names
DS-012759CS-0251511EN300-54973G324231,2-epoxy-3-[3-(trifluoromethyl)phenoxy]propaneZ323040084
Database identifiers
- CAS
585-45-5- PubChem CID
- 328877
- Nikkaji
- J1.335.492H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
4 records
Compound notes
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