Acetic acid, trifluoro-, 1-methylundecyl ester
Basic information
- CAS
1894-68-4- Standard SMILES
CCCCCCCCCCC(C)OC(=O)C(F)(F)F- InChIKey
RDYXOENSCHDACI-UHFFFAOYSA-N- Molecular formula
- C14H25F3O2
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.18066452
Names & identifiers
- Preferred name
- Acetic acid, trifluoro-, 1-methylundecyl ester
- IUPAC
- dodecan-2-yl 2,2,2-trifluoroacetate
Names & synonyms
1894-68-4Acetic acid, trifluoro-, 1-methylundecyl esterDTXSID50336785RefChem:1075849DTXCID402878732-TrifluoroacetoxydodecaneDodecan-2-yl trifluoroacetate1-Methylundecyl trifluoroacetate #
Database identifiers
- CAS
1894-68-4- PubChem CID
- 536258
- DTXSID
DTXSID50336785- Nikkaji
- J1.467.751H
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 239
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…