tert-butyl (4E)-4-[2-(tert-butoxy)-2-oxoethylidene]-3-fluoropiperidine-1-carboxylate

tert-butyl (4E)-4-[2-(tert-butoxy)-2-oxoethylidene]-3-fluoropiperidine-1-carboxylate

CAS: 362705-32-6

Formula: C16H26FNO4

SMILES: CC(C)(C)OC(=O)C=C1/CCN(CC1F)C(=O)OC(C)(C)C

IUPAC: tert-butyl (4E)-4-[2-(tert-butoxy)-2-oxoethylidene]-3-fluoropiperidine-1-carboxylate

InChI: InChI=1/C16H26FNO4/c1-15(2,3)21-13(19)9-11-7-8-18(10-12(11)17)14(20)22-16(4,5)6/h9,12H,7-8,10H2,1-6H3/b11-9+

Composition: C (60.93%), H (8.31%), F (6.02%), N (4.44%), O (20.29%)

Molar Mass: 315.385

Atom Count: 48

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	315.184586484
Formal Charge	0
FSP3	0.75
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HZINXEXOXZZKRX-PKNBQFBNNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.56
Topological Polar Surface Area	55.84
Polarizability	31.66
Ring Count	1
Rotatable Bond Count	5

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