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

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

CAS: 1260761-15-6

Formula: C12H18F3NO4

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

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

InChI: InChI=1/C12H18F3NO4/c1-10(2,3)20-9(19)16-5-7(8(17)18)11(4,6-16)12(13,14)15/h7H,5-6H2,1-4H3,(H,17,18)

Composition: C (48.48%), H (6.10%), F (19.17%), N (4.71%), O (21.53%)

Molar Mass: 297.274

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	297.118792553
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VJHZYPGXOSVREB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.12
Topological Polar Surface Area	66.84
Polarizability	24.15
Ring Count	1
Rotatable Bond Count	4

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