Home Carboxys tert-butyl 3-hydroxy-3-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl 3-hydroxy-3-(trifluoromethyl)piperidine-1-carboxylate

CAS No.:
1052713-78-6
Catalog Number:
AG00HAMO
Molecular Formula:
C11H18F3NO3
Molecular Weight:
269.2607
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Product Description
Catalog Number:
AG00HAMO
Chemical Name:
tert-butyl 3-hydroxy-3-(trifluoromethyl)piperidine-1-carboxylate
CAS Number:
1052713-78-6
Molecular Formula:
C11H18F3NO3
Molecular Weight:
269.2607
MDL Number:
MFCD16990770
IUPAC Name:
tert-butyl 3-hydroxy-3-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H18F3NO3/c1-9(2,3)18-8(16)15-6-4-5-10(17,7-15)11(12,13)14/h17H,4-7H2,1-3H3
InChI Key:
QYOHWKPQQOXOFE-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)(O)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
1.9  
Properties