chempirical

Fluorad fc 135

C14H16F17IN2O2SCAS 1652-63-7726.23 g/mol

Open in Covalent MOL file
N+NHSOOFFFFFFFFFFFFFFFFFI−
Alkyl halideQuaternary ammoniumSulfonamide

Properties

Molecular formula
C14H16F17IN2O2S
Molar mass
726.23 g/mol
Exact mass
725.9706 Da
logP
1.97Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
12

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1652-63-7
SMILES
C[N+](C)(C)CCCNS(=O)(=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)F.[I-]
InChIKey
MLIMEVJPZQAQQE-UHFFFAOYSA-M
InChI
InChI=1S/C14H16F17N2O2S.HI/c1-33(2,3)6-4-5-32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29;/h32H,4-6H2,1-3H3;1H/q+1;/p-1

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Names and synonyms

13 names · show all
  • 1-Propanaminium, 3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, iodide (1:1)
  • 1-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, iodide
  • Ammonium, [3-[[(heptadecafluorooctyl)sulfonyl]amino]propyl]trimethyl-, iodide
  • [3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamido)propyl]trimethylammonium iodide
  • N-[(Perfluorooctylsulfonamido)propyl]-N,N,N-trimethylammonium iodide
  • Trimethyl[3-(perfluorooctylsulfonylamino)-1-propyl]ammonium iodide
  • FC 134
  • Fluorad FC 134
  • FS 150
  • FC 135
  • N,N,N-Trimethyl[3-(perfluorooctanesulfonylamino)propyl]ammonium iodide
  • Fluorad FC 754
  • N,N,N-Trimethyl-3-(perfluorooctylsulfonamido)propan-1-aminium iodide

Work with Fluorad fc 135

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sulfluramid4151-50-256 % similar Tetraethylammonium perfluorooctanesulfonate56773-42-337 % similar Perfluorooctanesulfonyl fluoride307-35-736 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-736 % similar Perfluorooctanesulfonic acid1763-23-135 % similar Perfluorohexanesulfonic acid355-46-435 % similar Perfluoroheptanesulfonic acid375-92-835 % similar Perfluorooctanesulfonamide754-91-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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