ethyl 2-(4-amino-3-methylphenyl)-2,2-difluoroacetate

ethyl 2-(4-amino-3-methylphenyl)-2,2-difluoroacetate

CAS: 1260683-33-7

Formula: C11H13F2NO2

SMILES: CCOC(=O)C(F)(F)C1=CC(C)=C(N)C=C1

IUPAC: ethyl 2-(4-amino-3-methylphenyl)-2,2-difluoroacetate

InChI: InChI=1S/C11H13F2NO2/c1-3-16-10(15)11(12,13)8-4-5-9(14)7(2)6-8/h4-6H,3,14H2,1-2H3

Composition: C (57.64%), H (5.72%), F (16.58%), N (6.11%), O (13.96%)

Molar Mass: 229.227

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.091434989
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QYZUSPHUSPLLEH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.74
Topological Polar Surface Area	52.32
Polarizability	20.88
Ring Count	1
Rotatable Bond Count	4

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