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

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

CAS: 1260676-72-9

Formula: C15H18F3NO3

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

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

InChI: InChI=1S/C15H18F3NO3/c16-15(17,18)14(11-20)6-8-19(9-7-14)13(21)22-10-12-4-2-1-3-5-12/h1-5,20H,6-11H2

Composition: C (56.78%), H (5.72%), F (17.96%), N (4.41%), O (15.13%)

Molar Mass: 317.308

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	317.123877933
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UEOWFCXOLSFUHD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.37
Topological Polar Surface Area	49.77
Polarizability	28.06
Ring Count	2
Rotatable Bond Count	5

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