tert-butyl 3,3-difluoroazetidine-1-carboxylate

tert-butyl 3,3-difluoroazetidine-1-carboxylate

CAS: 1255666-59-1

Formula: C8H13F2NO2

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

IUPAC: tert-butyl 3,3-difluoroazetidine-1-carboxylate

InChI: InChI=1S/C8H13F2NO2/c1-7(2,3)13-6(12)11-4-8(9,10)5-11/h4-5H2,1-3H3

Composition: C (49.74%), H (6.78%), F (19.67%), N (7.25%), O (16.56%)

Molar Mass: 193.194

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	193.091434989
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GJXFELMSTZXKLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.39
Topological Polar Surface Area	29.54
Polarizability	16.31
Ring Count	1
Rotatable Bond Count	2

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