1,4-dimethyl 2,2,3,3-tetrafluorobutanedioate

1,4-dimethyl 2,2,3,3-tetrafluorobutanedioate

CAS: 356-36-5

Formula: C6H6F4O4

SMILES: COC(=O)C(F)(F)C(F)(F)C(=O)OC

IUPAC: 1,4-dimethyl 2,2,3,3-tetrafluorobutanedioate

InChI: InChI=1S/C6H6F4O4/c1-13-3(11)5(7,8)6(9,10)4(12)14-2/h1-2H3

Composition: C (33.04%), H (2.77%), F (34.84%), O (29.34%)

Molar Mass: 218.104

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	218.020221325
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RMXAYQBUNVSEPG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.31
Topological Polar Surface Area	52.6
Polarizability	13.3
Ring Count	0
Rotatable Bond Count	5

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