ethyl 4-(trifluoromethyl)piperidine-2-carboxylate hydrochloride

ethyl 4-(trifluoromethyl)piperidine-2-carboxylate hydrochloride

CAS: 2576420-55-6

Formula: C9H15ClF3NO2

SMILES: Cl.CCOC(=O)C1CC(CCN1)C(F)(F)F

IUPAC: ethyl 4-(trifluoromethyl)piperidine-2-carboxylate hydrochloride

InChI: InChI=1/C9H14F3NO2.ClH/c1-2-15-8(14)7-5-6(3-4-13-7)9(10,11)12;/h6-7,13H,2-5H2,1H3;1H

Composition: C (41.31%), H (5.78%), Cl (13.55%), F (21.78%), N (5.35%), O (12.23%)

Molar Mass: 261.67

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	261.0743409
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PVIPIBFORRJLKY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.59
Topological Polar Surface Area	38.33
Polarizability	18.35
Ring Count	1
Rotatable Bond Count	4

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