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1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate

1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate

CAS: 84750-88-9

Formula: C14H6F20O4

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

IUPAC: 1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate

InChI: InChI=1S/C14H6F20O4/c1-37-3(35)5(15,16)7(19,20)9(23,24)11(27,28)13(31,32)14(33,34)12(29,30)10(25,26)8(21,22)6(17,18)4(36)38-2/h1-2H3

Composition: C (27.20%), H (0.98%), F (61.47%), O (10.35%)

Molar Mass: 618.166

Atom Count: 44

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 617.994671933
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GHVIUCXUOSDTBP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 70.66
Topological Polar Surface Area 52.6
Polarizability 28.35
Ring Count 0
Rotatable Bond Count 13

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