2-{[(2,2-difluoroethyl)amino]methyl}-6-methoxyphenol

2-{[(2,2-difluoroethyl)amino]methyl}-6-methoxyphenol

CAS: 937601-46-2

Formula: C10H13F2NO2

SMILES: COC1=CC=CC(CNCC(F)F)=C1O

IUPAC: 2-{[(2,2-difluoroethyl)amino]methyl}-6-methoxyphenol

InChI: InChI=1S/C10H13F2NO2/c1-15-8-4-2-3-7(10(8)14)5-13-6-9(11)12/h2-4,9,13-14H,5-6H2,1H3

Composition: C (55.30%), H (6.03%), F (17.49%), N (6.45%), O (14.73%)

Molar Mass: 217.216

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.091434989
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ADKRHSYGOCAFPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.31
Topological Polar Surface Area	41.49
Polarizability	20.01
Ring Count	1
Rotatable Bond Count	5

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