Home Carboxys 1-(tert-Butoxycarbonyl)-3,5,5-trifluoropiperidine-3-carboxylic acid

1-(tert-Butoxycarbonyl)-3,5,5-trifluoropiperidine-3-carboxylic acid

CAS No.:
1823865-48-0
Catalog Number:
AG00I1B1
Molecular Formula:
C11H16F3NO4
Molecular Weight:
283.2442
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Product Description
Catalog Number:
AG00I1B1
Chemical Name:
1-(tert-Butoxycarbonyl)-3,5,5-trifluoropiperidine-3-carboxylic acid
CAS Number:
1823865-48-0
Molecular Formula:
C11H16F3NO4
Molecular Weight:
283.2442
MDL Number:
MFCD27997483
IUPAC Name:
3,5,5-trifluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C11H16F3NO4/c1-9(2,3)19-8(18)15-5-10(12,7(16)17)4-11(13,14)6-15/h4-6H2,1-3H3,(H,16,17)
InChI Key:
AHMNVTBWLXQFFX-UHFFFAOYSA-N
SMILES:
O=C(N1CC(F)(F)CC(C1)(F)C(=O)O)OC(C)(C)C
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.247g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties