1-(tert-butoxycarbonyl)-3-(trifluoromethyl)piperidine-4-carboxylic acid

1-(tert-butoxycarbonyl)-3-(trifluoromethyl)piperidine-4-carboxylic acid

CAS: 1260649-60-2

Formula: C12H18F3NO4

SMILES: CC(C)(C)OC(=O)N1CCC(C(C1)C(F)(F)F)C(O)=O

IUPAC: 1-[(tert-butoxy)carbonyl]-3-(trifluoromethyl)piperidine-4-carboxylic acid

InChI: InChI=1/C12H18F3NO4/c1-11(2,3)20-10(19)16-5-4-7(9(17)18)8(6-16)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,17,18)

Composition: C (48.48%), H (6.10%), F (19.17%), N (4.71%), O (21.53%)

Molar Mass: 297.274

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	297.118792553
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FZQHRSMRHOQSOY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.32
Topological Polar Surface Area	66.84
Polarizability	24.15
Ring Count	1
Rotatable Bond Count	4

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