Home Carboxys tert-butyl 2-(trifluoromethyl)-1-oxa-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 2-(trifluoromethyl)-1-oxa-6-azaspiro[2.5]octane-6-carboxylate

CAS No.:
2137642-59-0
Catalog Number:
AG01EK1Y
Molecular Formula:
C12H18F3NO3
Molecular Weight:
281.2714
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Product Description
Catalog Number:
AG01EK1Y
Chemical Name:
tert-butyl 2-(trifluoromethyl)-1-oxa-6-azaspiro[2.5]octane-6-carboxylate
CAS Number:
2137642-59-0
Molecular Formula:
C12H18F3NO3
Molecular Weight:
281.2714
MDL Number:
MFCD31439559
IUPAC Name:
tert-butyl 2-(trifluoromethyl)-1-oxa-6-azaspiro[2.5]octane-6-carboxylate
InChI:
InChI=1S/C12H18F3NO3/c1-10(2,3)19-9(17)16-6-4-11(5-7-16)8(18-11)12(13,14)15/h8H,4-7H2,1-3H3
InChI Key:
DFNOQQZJXYJPAS-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)OC2C(F)(F)F)OC(C)(C)C
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.124g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.275g/mol
Monoisotopic Mass:
281.124g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties