tert-butyl 3,5-bis(2-ethoxy-2-oxoethyl)-4,4-difluoropiperidine-1-carboxylate

tert-butyl 3,5-bis(2-ethoxy-2-oxoethyl)-4,4-difluoropiperidine-1-carboxylate

CAS: 1864059-46-0

Formula: C18H29F2NO6

SMILES: CCOC(=O)CC1CN(CC(CC(=O)OCC)C1(F)F)C(=O)OC(C)(C)C

IUPAC: tert-butyl 3,5-bis(2-ethoxy-2-oxoethyl)-4,4-difluoropiperidine-1-carboxylate

InChI: InChI=1/C18H29F2NO6/c1-6-25-14(22)8-12-10-21(16(24)27-17(3,4)5)11-13(18(12,19)20)9-15(23)26-7-2/h12-13H,6-11H2,1-5H3

Composition: C (54.95%), H (7.43%), F (9.66%), N (3.56%), O (24.40%)

Molar Mass: 393.428

Atom Count: 56

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	393.196293984
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DYSGPLDXODZVPR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.11
Topological Polar Surface Area	82.14
Polarizability	36.27
Ring Count	1
Rotatable Bond Count	10

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