Butanoic acid, heptafluoro-, 4-[1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-2-methoxyphenyl ester
Basic information
- CAS
55255-98-6- Standard SMILES
COc1cc(C(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
NGKDIDQUDSGVAQ-UHFFFAOYSA-N- Molecular formula
- C21H10F21NO6
- Average molar mass
- 771.3 g/mol
- Monoisotopic mass
- 771.0172784
Names & identifiers
- Preferred name
- Butanoic acid, heptafluoro-, 4-[1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-2-methoxyphenyl ester
- IUPAC
- [4-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]-2-methoxyphenyl] 2,2,3,3,4,4,4-heptafluorobutanoate
- English name
- Heptafluorobutyric acid 4-[2-[(heptafluorobutyryl)amino]-1-[(heptafluorobutyryl)oxy]ethyl]-2-methoxyphenyl ester
- Molecular formula
- C21H10F21NO6
- Molecular weight
- 771.27
Names & synonyms
55255-98-6Butanoic acid, heptafluoro-, 4-[1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-2-methoxyphenyl esterNGKDIDQUDSGVAQ-UHFFFAOYSA-NDTXSID101045416[4-[2-(Perfluorobutanoyl)amino-1-(perfluorobutanoyloxy)ethyl]-2-methoxyphenyl] perfluorobutanoate4-(2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]-1-[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]ethyl)-2-methoxyphenyl 2,2,3,3,4,4,4-heptafluorobutanoate #Heptafluorobutyric acid 4-[2-[(heptafluorobutyryl)amino]-1-[(heptafluorobutyryl)oxy]ethyl]-2-methoxyphenyl esterButanoic acid, heptafluoro-, 4-[1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-2-methoxyphenyl ester (9CI)
Database identifiers
- CAS
55255-98-6- PubChem CID
- 635964
- DTXSID
DTXSID101045416- Nikkaji
- J132.756I
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,210
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