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Trans-tert-butyl 3-hydroxy-4-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate

CAS No.:
1932796-99-0
Catalog Number:
AG00I2XS
Molecular Formula:
C11H18F3NO3
Molecular Weight:
269.2607
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Product Description
Catalog Number:
AG00I2XS
Chemical Name:
Trans-tert-butyl 3-hydroxy-4-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CAS Number:
1932796-99-0
Molecular Formula:
C11H18F3NO3
Molecular Weight:
269.2607
MDL Number:
MFCD28119211
IUPAC Name:
tert-butyl (3S)-3-hydroxy-4-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H18F3NO3/c1-7-5-15(8(16)18-9(2,3)4)6-10(7,17)11(12,13)14/h7,17H,5-6H2,1-4H3/t7?,10-/m1/s1
InChI Key:
AAJLGQYJPDKDQX-OMNKOJBGSA-N
SMILES:
O=C(N1C[C@@H]([C@](C1)(O)C(F)(F)F)C)OC(C)(C)C
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
269.124g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.264g/mol
Monoisotopic Mass:
269.124g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties