Home Other Building Blocks rac-2,2,2-trifluoro-N-[(3R,4S)-4-phenylpiperidin-3-yl]acetamide, cis

rac-2,2,2-trifluoro-N-[(3R,4S)-4-phenylpiperidin-3-yl]acetamide, cis

CAS No.:
1989638-09-6
Catalog Number:
AG01B6QX
Molecular Formula:
C13H15F3N2O
Molecular Weight:
272.2662
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Product Description
Catalog Number:
AG01B6QX
Chemical Name:
rac-2,2,2-trifluoro-N-[(3R,4S)-4-phenylpiperidin-3-yl]acetamide, cis
CAS Number:
1989638-09-6
Molecular Formula:
C13H15F3N2O
Molecular Weight:
272.2662
MDL Number:
MFCD30347879
IUPAC Name:
2,2,2-trifluoro-N-[(3S,4R)-4-phenylpiperidin-3-yl]acetamide
InChI:
InChI=1S/C13H15F3N2O/c14-13(15,16)12(19)18-11-8-17-7-6-10(11)9-4-2-1-3-5-9/h1-5,10-11,17H,6-8H2,(H,18,19)/t10-,11-/m1/s1
InChI Key:
TVKFVDQZXOYDBK-GHMZBOCLSA-N
SMILES:
O=C(C(F)(F)F)N[C@@H]1CNCC[C@@H]1c1ccccc1
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
272.114g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.271g/mol
Monoisotopic Mass:
272.114g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties