1-[(2,2,2-trifluoroethoxy)carbonyl]pyrrolidine-2-carboxylic acid


Chemical Name: 1-[(2,2,2-trifluoroethoxy)carbonyl]pyrrolidine-2-carboxylic acid
CAS Number: 1309020-00-5
Product Number: AG01DUBJ(AG01DUBJ)
Synonyms:
MDL No:
Molecular Formula: C8H10F3NO4
Molecular Weight: 241.1645

Identification/Properties


Computed Properties
Molecular Weight:
241.166g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
241.056g/mol
Monoisotopic Mass:
241.056g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
292
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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