(7S)-6-(tert-butoxycarbonyl)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid

(7S)-6-(tert-butoxycarbonyl)-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid

CAS: 1980007-36-0

Formula: C13H19F2NO4

SMILES: CC(C)(C)OC(=O)N1CC2(CC(F)(F)C2)C[C@H]1C(O)=O

IUPAC: (7S)-6-[(tert-butoxy)carbonyl]-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxylic acid

InChI: InChI=1S/C13H19F2NO4/c1-11(2,3)20-10(19)16-7-12(4-8(16)9(17)18)5-13(14,15)6-12/h8H,4-7H2,1-3H3,(H,17,18)/t8-/m0/s1

Composition: C (53.60%), H (6.57%), F (13.04%), N (4.81%), O (21.97%)

Molar Mass: 291.295

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	291.128214422
Formal Charge	0
FSP3	0.85
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HPLUHOJHYYJMSU-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.32
Topological Polar Surface Area	66.84
Polarizability	25.36
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1980007-36-0		$378.30-$1,558.60$378.30$624.20$1,039.06$1,558.60