Home Carboxys tert-butyl 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate

tert-butyl 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate

CAS No.:
1803608-99-2
Catalog Number:
AG01BGAC
Molecular Formula:
C11H18F3NO2
Molecular Weight:
253.2613
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Product Description
Catalog Number:
AG01BGAC
Chemical Name:
tert-butyl 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate
CAS Number:
1803608-99-2
Molecular Formula:
C11H18F3NO2
Molecular Weight:
253.2613
MDL Number:
MFCD28125066
IUPAC Name:
tert-butyl 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C11H18F3NO2/c1-10(2,3)17-9(16)8-4-5-15(6-8)7-11(12,13)14/h8H,4-7H2,1-3H3
InChI Key:
LTOQAOLLIKVIKG-UHFFFAOYSA-N
SMILES:
O=C(C1CCN(C1)CC(F)(F)F)OC(C)(C)C
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.129g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.265g/mol
Monoisotopic Mass:
253.129g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties