tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate hydrate

tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate hydrate

CAS: 1955548-89-6

Formula: C10H18FNO4

SMILES: O.CC(C)(C)OC(=O)N1CCC(=O)C(F)C1

IUPAC: tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate hydrate

InChI: InChI=1/C10H16FNO3.H2O/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;/h7H,4-6H2,1-3H3;1H2

Composition: C (51.06%), H (7.71%), F (8.08%), N (5.95%), O (27.20%)

Molar Mass: 235.255

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	235.121986227
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VZJUORFVYPQUAN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.81
Topological Polar Surface Area	46.61
Polarizability	20.23
Ring Count	1
Rotatable Bond Count	2

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