Home Carboxys Trans-benzyl 3-fluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

Trans-benzyl 3-fluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

CAS No.:
1951441-27-2
Catalog Number:
AG00I38Y
Molecular Formula:
C14H15F4NO3
Molecular Weight:
321.2674
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Product Description
Catalog Number:
AG00I38Y
Chemical Name:
Trans-benzyl 3-fluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CAS Number:
1951441-27-2
Molecular Formula:
C14H15F4NO3
Molecular Weight:
321.2674
MDL Number:
MFCD28119203
IUPAC Name:
benzyl (3S,4S)-3-fluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H15F4NO3/c15-11-8-19(7-6-13(11,21)14(16,17)18)12(20)22-9-10-4-2-1-3-5-10/h1-5,11,21H,6-9H2/t11-,13-/m0/s1
InChI Key:
QQNQSSRECRSPPM-AAEUAGOBSA-N
SMILES:
O=C(N1CC[C@@]([C@H](C1)F)(O)C(F)(F)F)OCc1ccccc1
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
321.099g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.272g/mol
Monoisotopic Mass:
321.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties