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Propanoic acid, pentafluoro-, 2-methoxy-4-[1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]phenyl ester

HCID 577383
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
66582-82-9
Standard SMILES
COc1cc(C(CNC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F)F
InChIKey
NXRRUQNFYZSKLL-UHFFFAOYSA-N
Molecular formula
C18H10F15NO6
Average molar mass
621.2 g/mol
Monoisotopic mass
621.0268595

Names & identifiers

Preferred name
Propanoic acid, pentafluoro-, 2-methoxy-4-[1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]phenyl ester
IUPAC
[2-methoxy-4-[2-(2,2,3,3,3-pentafluoropropanoylamino)-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
English name
Normetadrenaline triPFP
Molecular formula
C18H10F15NO6
Molecular weight
621.25

Names & synonyms

Normetadrenaline, tri-PFPPropanoic acid, pentafluoro-, 2-methoxy-4-[1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]phenyl esterNXRRUQNFYZSKLL-UHFFFAOYSA-NDTXSID30104533166582-82-9N,O,O'-Tris(pentafluoropropionoyl)normetanephrine[2-Methoxy-4-[2-(perfluoropropanoylamino)-1-(perfluoropropanoyloxy)ethyl]phenyl] perfluoropropanoate2-Methoxy-4-(2-[(2,2,3,3,3-pentafluoropropanoyl)amino]-1-[(2,2,3,3,3-pentafluoropropanoyl)oxy]ethyl)phenyl 2,2,3,3,3-pentafluoropropanoate #Propanoic acid, pentafluoro-, 1-[3-methoxy-4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)phenyl]-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl esterNormetadrenaline triPFPAdrenaline Impurity 141Propanoic acid, pentafluoro-, 2-methoxy-4-[1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]phenyl ester (9CI)
Show more names
2,2,3,3,3-Pentafluoropropanoic acid 2-methoxy-4-[1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]phenyl ester

Database identifiers

CAS
66582-82-9
PubChem CID
577383
DTXSID
DTXSID301045331
Nikkaji
J131.292H

Properties

Computed structural properties

XLogP
6
Topological polar surface area
90.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
21
Rotatable bonds
11
Heavy atoms
40
Formal charge
0
Complexity
930

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Compound notes

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