Home Carboxys tert-butyl 2-cyano-2-(trifluoromethyl)pyrrolidine-1-carboxylate

tert-butyl 2-cyano-2-(trifluoromethyl)pyrrolidine-1-carboxylate

CAS No.:
2095409-30-4
Catalog Number:
AG01E8YI
Molecular Formula:
C11H15F3N2O2
Molecular Weight:
264.2442
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Product Description
Catalog Number:
AG01E8YI
Chemical Name:
tert-butyl 2-cyano-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CAS Number:
2095409-30-4
Molecular Formula:
C11H15F3N2O2
Molecular Weight:
264.2442
MDL Number:
MFCD30730420
IUPAC Name:
tert-butyl 2-cyano-2-(trifluoromethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H15F3N2O2/c1-9(2,3)18-8(17)16-6-4-5-10(16,7-15)11(12,13)14/h4-6H2,1-3H3
InChI Key:
AUFPHIFJLZFZIZ-UHFFFAOYSA-N
SMILES:
N#CC1(CCCN1C(=O)OC(C)(C)C)C(F)(F)F
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.109g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.248g/mol
Monoisotopic Mass:
264.109g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties