tert-butyl 3-cyano-3-fluoroazetidine-1-carboxylate

tert-butyl 3-cyano-3-fluoroazetidine-1-carboxylate

CAS: 1788041-57-5

Formula: C9H13FN2O2

SMILES: CC(C)(C)OC(=O)N1CC(F)(C1)C#N

IUPAC: tert-butyl 3-cyano-3-fluoroazetidine-1-carboxylate

InChI: InChI=1S/C9H13FN2O2/c1-8(2,3)14-7(13)12-5-9(10,4-11)6-12/h5-6H2,1-3H3

Composition: C (53.99%), H (6.55%), F (9.49%), N (13.99%), O (15.98%)

Molar Mass: 200.213

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	200.09610583
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VLCFNAIYELAULW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.09
Topological Polar Surface Area	53.33
Polarizability	18.17
Ring Count	1
Rotatable Bond Count	2

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