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Cis-benzyl 3-fluoro-4-(fluoromethyl)-4-hydroxypiperidine-1-carboxylate

CAS No.:
1932776-83-4
Catalog Number:
AG00I2XP
Molecular Formula:
C14H17F2NO3
Molecular Weight:
285.2865
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Product Description
Catalog Number:
AG00I2XP
Chemical Name:
Cis-benzyl 3-fluoro-4-(fluoromethyl)-4-hydroxypiperidine-1-carboxylate
CAS Number:
1932776-83-4
Molecular Formula:
C14H17F2NO3
Molecular Weight:
285.2865
MDL Number:
MFCD28119189
IUPAC Name:
benzyl (3S,4S)-3-fluoro-4-(fluoromethyl)-4-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C14H17F2NO3/c15-10-14(19)6-7-17(8-12(14)16)13(18)20-9-11-4-2-1-3-5-11/h1-5,12,19H,6-10H2/t12-,14-/m0/s1
InChI Key:
FDMJTUQOQPSWKN-JSGCOSHPSA-N
SMILES:
FC[C@@]1(O)CCN(C[C@@H]1F)C(=O)OCc1ccccc1
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
285.118g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.291g/mol
Monoisotopic Mass:
285.118g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties