tert-butyl 3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate

tert-butyl 3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate

CAS: 1260789-12-5

Formula: C11H18F3NO3

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

IUPAC: tert-butyl 3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C11H18F3NO3/c1-10(2,3)18-9(17)15-4-7(6-16)8(5-15)11(12,13)14/h7-8,16H,4-6H2,1-3H3

Composition: C (49.07%), H (6.74%), F (21.17%), N (5.20%), O (17.83%)

Molar Mass: 269.264

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	269.123877933
Formal Charge	0
FSP3	0.91
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GXFXYRPLLNFRNI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.78
Topological Polar Surface Area	49.77
Polarizability	22.32
Ring Count	1
Rotatable Bond Count	4

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