Basic information
- CAS
139122-42-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F- InChIKey
STGCKLMCGBBPOO-UHFFFAOYSA-N- Molecular formula
- C22H31F5O2
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.22442104
Names & identifiers
- Preferred name
- Pentafluorophenyl hexadecanoate
- IUPAC
- (2,3,4,5,6-pentafluorophenyl) hexadecanoate
Names & synonyms
pentafluorophenyl hexadecanoate139122-42-2DTXSID20398219RefChem:368002DTXCID10349078pentafluorophenyl palmitateSCHEMBL3501089STGCKLMCGBBPOO-UHFFFAOYSA-N
Database identifiers
- CAS
139122-42-2- PubChem CID
- 3955933
- DTXSID
DTXSID20398219
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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