Basic information
- CAS
74231-48-4- Standard SMILES
CC(NC(=O)C(F)(F)C(F)(F)F)C(OC(=O)C(F)(F)C(F)(F)F)c1ccc(OC(=O)C(F)(F)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)F)c1- InChIKey
BQRPZTHXVKXWKL-UHFFFAOYSA-N- Molecular formula
- C21H9F20NO7
- Average molar mass
- 767.3 g/mol
- Monoisotopic mass
- 767.0059649
Names & identifiers
- Preferred name
- Propanoic acid, pentafluoro-, 4-[1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]propyl]-1,2-phenylene ester
- IUPAC
- [4-[2-(2,2,3,3,3-pentafluoropropanoylamino)-1-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]-2-(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate
- English name
- Bis(2,2,3,3,3-pentafluoropropanoic acid)4-[1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]propyl]-1,2-phenylene ester
- Molecular weight
- 0
Names & synonyms
74231-48-4BQRPZTHXVKXWKL-UHFFFAOYSA-NDTXSID001045275Propanoic acid, pentafluoro-, 4-[1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]propyl]-1,2-phenylene ester1-(3,4-Bis[(2,2,3,3,3-pentafluoropropanoyl)oxy]phenyl)-2-[(2,2,3,3,3-pentafluoropropanoyl)amino]propyl 2,2,3,3,3-pentafluoropropanoate #1-(3,4-Bis[(perfluoropropanoyl)oxy]phenyl)-2-[(perfluoropropanoyl)amino]propyl perfluoropropanoateBis(2,2,3,3,3-pentafluoropropanoic acid)4-[1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]propyl]-1,2-phenylene ester
Database identifiers
- CAS
74231-48-4- PubChem CID
- 605341
- DTXSID
DTXSID001045275- Nikkaji
- J131.228F
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 13
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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