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

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

CAS: 1240309-75-4

Formula: C10H2F16N2

SMILES: FC(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-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)-1H-pyrazole

InChI: InChI=1S/C10H2F16N2/c11-4(12,2-1-3(28-27-2)5(13,14)15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H,(H,27,28)

Composition: C (26.45%), H (0.44%), F (66.94%), N (6.17%)

Molar Mass: 454.114

Atom Count: 30

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	453.99624868
Formal Charge	0
FSP3	0.7
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	UBYJCLQWBVLKJL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	54.54
Topological Polar Surface Area	28.68
Polarizability	20.07
Ring Count	1
Rotatable Bond Count	7

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