methyl (2R,4S)-4-(trifluoromethyl)piperidine-2-carboxylate

methyl (2R,4S)-4-(trifluoromethyl)piperidine-2-carboxylate

CAS: 1993316-11-2

Formula: C8H12F3NO2

SMILES: COC(=O)[C@H]1C[C@H](CCN1)C(F)(F)F

IUPAC: methyl (2R,4S)-4-(trifluoromethyl)piperidine-2-carboxylate

InChI: InChI=1S/C8H12F3NO2/c1-14-7(13)6-4-5(2-3-12-6)8(9,10)11/h5-6,12H,2-4H2,1H3/t5-,6+/m0/s1

Composition: C (45.50%), H (5.73%), F (26.99%), N (6.63%), O (15.15%)

Molar Mass: 211.184

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	211.082013119
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JTJHDIGEQRHIJX-NTSWFWBYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.84
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
96%	<2 Days	1993316-11-2		$540.50-$6,762.00$540.50$966.00$1,817.00$6,762.00