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

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

CAS No.:
1969288-07-0
Catalog Number:
AG01B5O5
Molecular Formula:
C14H16F4N2O2
Molecular Weight:
320.2827
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Product Description
Catalog Number:
AG01B5O5
Chemical Name:
rac-2,2,2-trifluoro-N-[(3R,4S)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]acetamide, cis
CAS Number:
1969288-07-0
Molecular Formula:
C14H16F4N2O2
Molecular Weight:
320.2827
MDL Number:
MFCD30181819
IUPAC Name:
2,2,2-trifluoro-N-[(3R,4S)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]acetamide
InChI:
InChI=1S/C14H16F4N2O2/c1-22-12-3-2-8(6-10(12)15)9-4-5-19-7-11(9)20-13(21)14(16,17)18/h2-3,6,9,11,19H,4-5,7H2,1H3,(H,20,21)/t9-,11-/m0/s1
InChI Key:
YEILSRWYXHGSSM-ONGXEEELSA-N
SMILES:
COc1ccc(cc1F)[C@@H]1CCNC[C@@H]1NC(=O)C(F)(F)F
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
320.115g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
320.288g/mol
Monoisotopic Mass:
320.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties