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1260780-31-1 | 1-Pyrrolidinecarboxylic acid, 4-amino-3-methyl-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1260780-31-1 Catalog No: AG000R7V MDL No:
Product Description
Catalog Number:
AG000R7V
Chemical Name:
1-Pyrrolidinecarboxylic acid, 4-amino-3-methyl-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1260780-31-1
Molecular Formula:
C11H19F3N2O2
Molecular Weight:
268.2760
IUPAC Name:
tert-butyl 4-amino-3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-5-7(15)10(4,6-16)11(12,13)14/h7H,5-6,15H2,1-4H3
InChI Key:
PMJPHYRIBXKIDH-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C(C1)(C)C(F)(F)F)N)OC(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.14g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.28g/mol
Monoisotopic Mass:
268.14g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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