tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate

tert-butyl 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate

CAS: 644970-36-5

Formula: C10H16F3NO3

SMILES: CC(C)(C)OC(=O)N1CCC(O)(C1)C(F)(F)F

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

InChI: InChI=1/C10H16F3NO3/c1-8(2,3)17-7(15)14-5-4-9(16,6-14)10(11,12)13/h16H,4-6H2,1-3H3

Composition: C (47.06%), H (6.32%), F (22.33%), N (5.49%), O (18.80%)

Molar Mass: 255.237

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	255.108227868
Formal Charge	0
FSP3	0.9
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LTDRQRZCMHBRKM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.89
Topological Polar Surface Area	49.77
Polarizability	20.53
Ring Count	1
Rotatable Bond Count	3

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95%	<8 Days	644970-36-5		$95.14-$1,371.43$95.14$285.71$457.14$857.14$1,371.43

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