3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]propane-1,2-diol

3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]propane-1,2-diol

CAS: 126814-93-5

Formula: C11H11F13O3

SMILES: OCC(O)COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

IUPAC: 3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]propane-1,2-diol

InChI: InChI=1/C11H11F13O3/c12-6(13,1-2-27-4-5(26)3-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,25-26H,1-4H2

Composition: C (30.15%), H (2.53%), F (56.36%), O (10.95%)

Molar Mass: 438.185

Atom Count: 38

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	438.050060333
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XYEQEZYFDSQCMY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.51
Topological Polar Surface Area	49.69
Polarizability	22.63
Ring Count	0
Rotatable Bond Count	11

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