tert-butyl N-[5-(trifluoromethyl)pyridin-3-yl]carbamate

tert-butyl N-[5-(trifluoromethyl)pyridin-3-yl]carbamate

CAS: 1187055-61-3

Formula: C11H13F3N2O2

SMILES: CC(C)(C)OC(=O)NC1=CN=CC(=C1)C(F)(F)F

IUPAC: tert-butyl N-[5-(trifluoromethyl)pyridin-3-yl]carbamate

InChI: InChI=1S/C11H13F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h4-6H,1-3H3,(H,16,17)

Composition: C (50.38%), H (5.00%), F (21.73%), N (10.68%), O (12.20%)

Molar Mass: 262.232

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.092912156
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FPMPSEZVIVLPGK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.17
Topological Polar Surface Area	51.22
Polarizability	21.8
Ring Count	1
Rotatable Bond Count	4

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