tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate

CAS: 1260893-18-2

Formula: C12H20F3NO3

SMILES: CC(C)(C)OC(=O)N1CCC(CO)(CC1)C(F)(F)F

IUPAC: tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate

InChI: InChI=1S/C12H20F3NO3/c1-10(2,3)19-9(18)16-6-4-11(8-17,5-7-16)12(13,14)15/h17H,4-8H2,1-3H3

Composition: C (50.88%), H (7.12%), F (20.12%), N (4.94%), O (16.94%)

Molar Mass: 283.291

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	283.139527997
Formal Charge	0
FSP3	0.92
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CXJLSBIXCPFDGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.56
Topological Polar Surface Area	49.77
Polarizability	24.11
Ring Count	1
Rotatable Bond Count	4

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