1-(tert-butoxycarbonyl)-3-(difluoromethyl)azetidine-3-carboxylic acid

1-(tert-butoxycarbonyl)-3-(difluoromethyl)azetidine-3-carboxylic acid

CAS: 1784562-69-1

Formula: C10H15F2NO4

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

IUPAC: 1-[(tert-butoxy)carbonyl]-3-(difluoromethyl)azetidine-3-carboxylic acid

InChI: InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-4-10(5-13,6(11)12)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)

Composition: C (47.81%), H (6.02%), F (15.12%), N (5.58%), O (25.47%)

Molar Mass: 251.23

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	251.096914293
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YYYNAZUUVRSZJZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.1
Topological Polar Surface Area	66.84
Polarizability	20.65
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1784562-69-1		$244.63-$1,008.80$244.63$392.17$673.37$1,008.80