2-(2,2-difluoroethoxy)-5-(trifluoromethyl)aniline hydrochloride

2-(2,2-difluoroethoxy)-5-(trifluoromethyl)aniline hydrochloride

CAS: 1431966-57-2

Formula: C9H9ClF5NO

SMILES: Cl.NC1=CC(=CC=C1OCC(F)F)C(F)(F)F

IUPAC: 2-(2,2-difluoroethoxy)-5-(trifluoromethyl)aniline hydrochloride

InChI: InChI=1S/C9H8F5NO.ClH/c10-8(11)4-16-7-2-1-5(3-6(7)15)9(12,13)14;/h1-3,8H,4,15H2;1H

Composition: C (38.94%), H (3.27%), Cl (12.77%), F (34.22%), N (5.05%), O (5.76%)

Molar Mass: 277.62

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	277.0292824
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UHWCXLNZQAMRAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.76
Topological Polar Surface Area	35.25
Polarizability	16.9
Ring Count	1
Rotatable Bond Count	4

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