4-[(1-methoxypropan-2-yl)oxy]-3-(trifluoromethyl)aniline

4-[(1-methoxypropan-2-yl)oxy]-3-(trifluoromethyl)aniline

CAS: 883545-85-5

Formula: C11H14F3NO2

SMILES: COCC(C)OC1=C(C=C(N)C=C1)C(F)(F)F

IUPAC: 4-[(1-methoxypropan-2-yl)oxy]-3-(trifluoromethyl)aniline

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

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	1
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	UPCZGVUZZIDAEX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.66
Topological Polar Surface Area	44.48
Polarizability	21.39
Ring Count	1
Rotatable Bond Count	5

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