2-(3,4-difluorophenoxy)-5-methylaniline

2-(3,4-difluorophenoxy)-5-methylaniline

CAS: 946773-98-4

Formula: C13H11F2NO

SMILES: CC1=CC(N)=C(OC2=CC(F)=C(F)C=C2)C=C1

IUPAC: 2-(3,4-difluorophenoxy)-5-methylaniline

InChI: InChI=1S/C13H11F2NO/c1-8-2-5-13(12(16)6-8)17-9-3-4-10(14)11(15)7-9/h2-7H,16H2,1H3

Composition: C (66.38%), H (4.71%), F (16.15%), N (5.95%), O (6.80%)

Molar Mass: 235.234

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	235.080870304
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	QSJQLGRUKMCQCK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.47
Topological Polar Surface Area	35.25
Polarizability	22.91
Ring Count	2
Rotatable Bond Count	2

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