(3R,4R)-1-(tert-butoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

(3R,4R)-1-(tert-butoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

CAS: 1808807-76-2

Formula: C11H16F3NO4

SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C(F)(F)F)C(O)=O

IUPAC: (3R,4R)-1-[(tert-butoxy)carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

InChI: InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(18)15-4-6(8(16)17)7(5-15)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7-/m0/s1

Composition: C (46.65%), H (5.69%), F (20.12%), N (4.95%), O (22.59%)

Molar Mass: 283.247

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	283.103142488
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DIFRWCMZFYQBQP-BQBZGAKWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.57
Topological Polar Surface Area	66.84
Polarizability	22.37
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1808807-76-2		$398.48-$1,638.04$398.48$656.98$1,093.29$1,638.04