4,4-difluoro-1-(2-methoxyphenyl)butane-1,3-dione

4,4-difluoro-1-(2-methoxyphenyl)butane-1,3-dione

CAS: 832739-25-0

Formula: C11H10F2O3

SMILES: COC1=CC=CC=C1C(=O)CC(=O)C(F)F

IUPAC: 4,4-difluoro-1-(2-methoxyphenyl)butane-1,3-dione

InChI: InChI=1S/C11H10F2O3/c1-16-10-5-3-2-4-7(10)8(14)6-9(15)11(12)13/h2-5,11H,6H2,1H3

Composition: C (57.90%), H (4.42%), F (16.65%), O (21.03%)

Molar Mass: 228.195

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.059800508
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KUNNJPSFUORRCC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.96
Topological Polar Surface Area	43.37
Polarizability	19.93
Ring Count	1
Rotatable Bond Count	5

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