4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)aniline hydrochloride

4-(oxolan-2-ylmethoxy)-2-(trifluoromethyl)aniline hydrochloride

CAS: 1185300-61-1

Formula: C12H15ClF3NO2

SMILES: Cl.NC1=C(C=C(OCC2CCCO2)C=C1)C(F)(F)F

IUPAC: 4-[(oxolan-2-yl)methoxy]-2-(trifluoromethyl)aniline hydrochloride

InChI: InChI=1/C12H14F3NO2.ClH/c13-12(14,15)10-6-8(3-4-11(10)16)18-7-9-2-1-5-17-9;/h3-4,6,9H,1-2,5,7,16H2;1H

Composition: C (48.41%), H (5.08%), Cl (11.91%), F (19.15%), N (4.71%), O (10.75%)

Molar Mass: 297.7

Atom Count: 34

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	297.0743409
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JSXVJBUMNGBJGV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.45
Topological Polar Surface Area	44.48
Polarizability	22.51
Ring Count	2
Rotatable Bond Count	4

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