1-tert-butyl 3-methyl 5-fluoropiperidine-1,3-dicarboxylate

1-tert-butyl 3-methyl 5-fluoropiperidine-1,3-dicarboxylate

CAS: 1241725-65-4

Formula: C12H20FNO4

SMILES: COC(=O)C1CC(F)CN(C1)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 3-methyl 5-fluoropiperidine-1,3-dicarboxylate

InChI: InChI=1/C12H20FNO4/c1-12(2,3)18-11(16)14-6-8(10(15)17-4)5-9(13)7-14/h8-9H,5-7H2,1-4H3

Composition: C (55.16%), H (7.72%), F (7.27%), N (5.36%), O (24.49%)

Molar Mass: 261.293

Atom Count: 38

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	261.137636291
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XHPWIVCCDDYKRM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.35
Topological Polar Surface Area	55.84
Polarizability	24.62
Ring Count	1
Rotatable Bond Count	4

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98%	<2 Days	1241725-65-4		$342.70-$5,612.00$342.70$457.70$687.70$977.50$1,587.00$5,612.00