1-(tert-butoxycarbonyl)-3,3-difluoroazetidine-2-carboxylic acid

1-(tert-butoxycarbonyl)-3,3-difluoroazetidine-2-carboxylic acid

Formula: C9H13F2NO4

SMILES: CC(C)(C)OC(=O)N1CC(F)(F)C1C(O)=O

IUPAC: 1-[(tert-butoxy)carbonyl]-3,3-difluoroazetidine-2-carboxylic acid

InChI: InChI=1/C9H13F2NO4/c1-8(2,3)16-7(15)12-4-9(10,11)5(12)6(13)14/h5H,4H2,1-3H3,(H,13,14)

Composition: C (45.57%), H (5.52%), F (16.02%), N (5.91%), O (26.98%)

Molar Mass: 237.203

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	237.081264229
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SNIQPSBTDHQLPU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.22
Topological Polar Surface Area	66.84
Polarizability	18.87
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H13F2NO4		Quote Only