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1260795-79-6 | 1-Pyrrolidinecarboxylic acid, 3-amino-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1260795-79-6 Catalog No: AG000RAN MDL No:MFCD11848047
Product Description
Catalog Number:
AG000RAN
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-amino-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1260795-79-6
Molecular Formula:
C10H17F3N2O2
Molecular Weight:
254.2494
MDL Number:
MFCD11848047
IUPAC Name:
tert-butyl 3-amino-3-(trifluoromethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H17F3N2O2/c1-8(2,3)17-7(16)15-5-4-9(14,6-15)10(11,12)13/h4-6,14H2,1-3H3
InChI Key:
YHPCKIFBYOPVAL-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)(N)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.124g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.253g/mol
Monoisotopic Mass:
254.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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