4-(2-propoxyethoxy)-2-(trifluoromethyl)aniline hydrochloride

4-(2-propoxyethoxy)-2-(trifluoromethyl)aniline hydrochloride

CAS: 1185297-62-4

Formula: C12H17ClF3NO2

SMILES: Cl.CCCOCCOC1=CC=C(N)C(=C1)C(F)(F)F

IUPAC: 4-(2-propoxyethoxy)-2-(trifluoromethyl)aniline hydrochloride

InChI: InChI=1S/C12H16F3NO2.ClH/c1-2-5-17-6-7-18-9-3-4-11(16)10(8-9)12(13,14)15;/h3-4,8H,2,5-7,16H2,1H3;1H

Composition: C (48.09%), H (5.72%), Cl (11.83%), F (19.02%), N (4.67%), O (10.68%)

Molar Mass: 299.72

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	299.089991
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HCGWIPSEIVGMMY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.51
Topological Polar Surface Area	44.48
Polarizability	23.2
Ring Count	1
Rotatable Bond Count	7

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