1-tert-butyl 4-ethyl 3,3-difluoro-4-methylpiperidine-1,4-dicarboxylate

1-tert-butyl 4-ethyl 3,3-difluoro-4-methylpiperidine-1,4-dicarboxylate

CAS: 1334416-35-1

Formula: C14H23F2NO4

SMILES: CCOC(=O)C1(C)CCN(CC1(F)F)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 4-ethyl 3,3-difluoro-4-methylpiperidine-1,4-dicarboxylate

InChI: InChI=1/C14H23F2NO4/c1-6-20-10(18)13(5)7-8-17(9-14(13,15)16)11(19)21-12(2,3)4/h6-9H2,1-5H3

Composition: C (54.71%), H (7.54%), F (12.36%), N (4.56%), O (20.82%)

Molar Mass: 307.338

Atom Count: 44

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	307.159514551
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XCKXLFSCXBEANV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72
Topological Polar Surface Area	55.84
Polarizability	28.09
Ring Count	1
Rotatable Bond Count	5

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