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tert-butyl N-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate

tert-butyl N-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate

CAS: 1187055-62-4

Formula: C11H19F3N2O2

SMILES: CC(C)(C)OC(=O)N[C@H]1CNC[C@H](C1)C(F)(F)F

IUPAC: tert-butyl N-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate

InChI: InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m0/s1

Composition: C (49.25%), H (7.14%), F (21.24%), N (10.44%), O (11.93%)

Molar Mass: 268.28

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 268.139862349
Formal Charge 0
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey CUNVTZVWJLBPQS-JGVFFNPUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.98
Topological Polar Surface Area 50.36
Polarizability 23.12
Ring Count 1
Rotatable Bond Count 4

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