methyl (3R,5S)-5-(trifluoromethyl)piperidine-3-carboxylate hydrochloride

methyl (3R,5S)-5-(trifluoromethyl)piperidine-3-carboxylate hydrochloride

CAS: 2007924-97-0

Formula: C8H13ClF3NO2

SMILES: Cl.COC(=O)[C@H]1CNC[C@H](C1)C(F)(F)F

IUPAC: methyl (3R,5S)-5-(trifluoromethyl)piperidine-3-carboxylate hydrochloride

InChI: InChI=1S/C8H12F3NO2.ClH/c1-14-7(13)5-2-6(4-12-3-5)8(9,10)11;/h5-6,12H,2-4H2,1H3;1H/t5-,6+;/m1./s1

Composition: C (38.80%), H (5.29%), Cl (14.32%), F (23.02%), N (5.66%), O (12.92%)

Molar Mass: 247.64

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	247.0586909
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SOQCKSUYTCVIEI-IBTYICNHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.94
Topological Polar Surface Area	38.33
Polarizability	16.57
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2007924-97-0		$205.54$205.54