1-(3,5-difluoro-2-methoxyphenyl)methanamine

1-(3,5-difluoro-2-methoxyphenyl)methanamine

CAS: 886502-00-7

Formula: C8H9F2NO

SMILES: COC1=C(F)C=C(F)C=C1CN

IUPAC: 1-(3,5-difluoro-2-methoxyphenyl)methanamine

InChI: InChI=1S/C8H9F2NO/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3H,4,11H2,1H3

Composition: C (55.49%), H (5.24%), F (21.94%), N (8.09%), O (9.24%)

Molar Mass: 173.163

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.06522024
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PHBIWWNJQFWDJK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.43
Topological Polar Surface Area	35.25
Polarizability	15.63
Ring Count	1
Rotatable Bond Count	2

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