methyl 5-(trifluoromethyl)piperidine-3-carboxylate

methyl 5-(trifluoromethyl)piperidine-3-carboxylate

CAS: 1269755-53-4

Formula: C8H12F3NO2

SMILES: COC(=O)C1CNCC(C1)C(F)(F)F

IUPAC: methyl 5-(trifluoromethyl)piperidine-3-carboxylate

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

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	ZFYKDGRNKLVWMO-UHFFFAOYNA-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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