2-(3-methoxypropoxy)-5-(trifluoromethyl)aniline

2-(3-methoxypropoxy)-5-(trifluoromethyl)aniline

CAS: 946715-36-2

Formula: C11H14F3NO2

SMILES: COCCCOC1=C(N)C=C(C=C1)C(F)(F)F

IUPAC: 2-(3-methoxypropoxy)-5-(trifluoromethyl)aniline

InChI: InChI=1S/C11H14F3NO2/c1-16-5-2-6-17-10-4-3-8(7-9(10)15)11(12,13)14/h3-4,7H,2,5-6,15H2,1H3

Composition: C (53.01%), H (5.66%), F (22.87%), N (5.62%), O (12.84%)

Molar Mass: 249.233

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.097663184
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZUBMKEJGCSGRBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.1
Topological Polar Surface Area	44.48
Polarizability	21.4
Ring Count	1
Rotatable Bond Count	6

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