N-(2,2-diethoxyethyl)-3-(trifluoromethoxy)aniline

N-(2,2-diethoxyethyl)-3-(trifluoromethoxy)aniline

CAS: 1192477-98-7

Formula: C13H18F3NO3

SMILES: CCOC(CNC1=CC(OC(F)(F)F)=CC=C1)OCC

IUPAC: N-(2,2-diethoxyethyl)-3-(trifluoromethoxy)aniline

InChI: InChI=1S/C13H18F3NO3/c1-3-18-12(19-4-2)9-17-10-6-5-7-11(8-10)20-13(14,15)16/h5-8,12,17H,3-4,9H2,1-2H3

Composition: C (53.24%), H (6.19%), F (19.43%), N (4.78%), O (16.37%)

Molar Mass: 293.286

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	293.123877933
Formal Charge	0
FSP3	0.54
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CEVYVEWLPHWDSB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.64
Topological Polar Surface Area	39.72
Polarizability	25.79
Ring Count	1
Rotatable Bond Count	9

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