1,1,1,3,3,3-hexafluoropropan-2-yl 4-[bis(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]piperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[bis(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]piperidine-1-carboxylate

CAS: 1380424-42-9

Formula: C24H21F6NO7

SMILES: OC(C1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)(C1=CC2=C(OCO2)C=C1)C1=CC=C2OCOC2=C1

IUPAC: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[bis(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]piperidine-1-carboxylate

InChI: InChI=1S/C24H21F6NO7/c25-23(26,27)20(24(28,29)30)38-21(32)31-7-5-13(6-8-31)22(33,14-1-3-16-18(9-14)36-11-34-16)15-2-4-17-19(10-15)37-12-35-17/h1-4,9-10,13,20,33H,5-8,11-12H2

Composition: C (52.47%), H (3.85%), F (20.75%), N (2.55%), O (20.38%)

Molar Mass: 549.422

Atom Count: 59

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	549.122220998
Formal Charge	0
FSP3	0.46
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	SXHQLPHDBLTFPM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	115.52
Topological Polar Surface Area	86.69
Polarizability	44.14
Ring Count	5
Rotatable Bond Count	7

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Key Organics Ltd

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97%	<2 Days	1380424-42-9		$166.06-$1,037.88$166.06$166.06$265.48$1,037.88

Molnova Chemicals

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