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1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide; triethyl(pentyl)azanium

1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide; triethyl(pentyl)azanium

CAS: 906478-91-9

Formula: C13H27F6N2O4S2

SMILES: CCCCC[N+](CC)(CC)CC.FC(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F

IUPAC: 1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide; triethyl(pentyl)azanium

InChI: InChI=1S/C11H26N.C2HF6NO4S2/c1-5-9-10-11-12(6-2,7-3)8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-11H2,1-4H3;9H/q+1;

Composition: C (34.43%), H (6.00%), F (25.14%), N (6.18%), O (14.11%), S (14.14%)

Molar Mass: 453.48

Atom Count: 54

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 453.131095104
Formal Charge 1
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UZDKFLGLFDJINF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.13
Topological Polar Surface Area 80.31
Polarizability 14.41
Ring Count 0
Rotatable Bond Count 9

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