benzyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

benzyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

CAS: 946504-83-2

Formula: C14H16F3NO3

SMILES: OC1(CCN(CC1)C(=O)OCC1=CC=CC=C1)C(F)(F)F

IUPAC: benzyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

InChI: InChI=1S/C14H16F3NO3/c15-14(16,17)13(20)6-8-18(9-7-13)12(19)21-10-11-4-2-1-3-5-11/h1-5,20H,6-10H2

Composition: C (55.44%), H (5.32%), F (18.79%), N (4.62%), O (15.83%)

Molar Mass: 303.281

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	303.108227868
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JTDWBYIBKZOBIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.56
Topological Polar Surface Area	49.77
Polarizability	26.25
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	946504-83-2		$84.49-$414.87$84.49$244.63$414.87