3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole

3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole

CAS: 1030269-33-0

Formula: C15H2F26N2

SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC(=NN1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

IUPAC: 3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole

InChI: InChI=1S/C15H2F26N2/c16-4(17,6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)38)2-1-3(43-42-2)5(18,19)7(22,23)9(26,27)11(30,31)13(34,35)15(39,40)41/h1H,(H,42,43)

Composition: C (25.59%), H (0.29%), F (70.15%), N (3.98%)

Molar Mass: 704.153

Atom Count: 45

Heavy Atom Count: 43

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	703.98028031
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	MWEVZBCRQDLSLM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	77.88
Topological Polar Surface Area	28.68
Polarizability	29.64
Ring Count	1
Rotatable Bond Count	12

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