1-ethyl 2,4,6-trifluorophenyl 2-ethylpropanedioate

1-ethyl 2,4,6-trifluorophenyl 2-ethylpropanedioate

CAS: 262609-07-4

Formula: C13H13F3O4

SMILES: CCOC(=O)C(CC)C(=O)OC1=C(F)C=C(F)C=C1F

IUPAC: 1-ethyl 2,4,6-trifluorophenyl 2-ethylpropanedioate

InChI: InChI=1/C13H13F3O4/c1-3-8(12(17)19-4-2)13(18)20-11-9(15)5-7(14)6-10(11)16/h5-6,8H,3-4H2,1-2H3

Composition: C (53.80%), H (4.51%), F (19.64%), O (22.05%)

Molar Mass: 290.238

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	290.076593388
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ASPFZIBDIGSMFV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.88
Topological Polar Surface Area	52.6
Polarizability	24.11
Ring Count	1
Rotatable Bond Count	7

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97%	<14 Days	262609-07-4		$96.39-$361.94$96.39$361.94