[1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium

C17HF36N2O+ — CID 175334858

IUPAC[1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium
SMILESO=C(NC(F)(F)C(F)(F)C(F)(F)[N+](C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)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
InChIInChI=1S/C17F36N2O/c18-2(19,1(56)54-13(41,42)11(36,37)14(43,44)55(15(45,46)47,16(48,49)50)17(51,52)53)3(20,21)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)12(38,39)40/p+1
InChIKeyMIHSTRJUIZHBCF-UHFFFAOYSA-O
MW933.14 g/mol
LogP10.58
Rot. Bonds13

About [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium

[1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium (PubChem CID 175334858) has the molecular formula C17HF36N2O+ and a molecular weight of 933.14 g/mol. Its IUPAC name is [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium.

Molecular Properties

Compound Name[1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium
PubChem CID175334858
Molecular FormulaC17HF36N2O+
Molecular Weight933.14 g/mol
Exact Mass932.95
IUPAC Name[1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium
SMILESO=C(NC(F)(F)C(F)(F)C(F)(F)[N+](C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)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
InChIInChI=1S/C17F36N2O/c18-2(19,1(56)54-13(41,42)11(36,37)14(43,44)55(15(45,46)47,16(48,49)50)17(51,52)53)3(20,21)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)12(38,39)40/p+1
InChIKeyMIHSTRJUIZHBCF-UHFFFAOYSA-O
XLogP10.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.14
LogP ≤ 510.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium with MolForge

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl-tris(trifluoromethyl)azanium
CID 87628816
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N'-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)nonanehydrazide
CID 3089752
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl-tris(trifluoromethyl)azanium bromide
CID 163366276
[1,1,2,2,3,3-hexafluoro-3-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoyl)amino]propyl]-tris(trifluoromethyl)azanium iodide
CID 172712031
2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
CID 5057745
CID 87771874
CID 87771874
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl chloride
CID 2782569
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoyl chloride
CID 155662844
N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3532396
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide
CID 3746335
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,25-pentacontafluoropentacosan-13-one
CID 158650223
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[7-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)heptyl]nonanamide
CID 3089716

Frequently Asked Questions

What is the IUPAC name of [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium?
The IUPAC name of [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium (CID 175334858) is [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium.
What is the SMILES notation for [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium?
The canonical SMILES for [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium is O=C(NC(F)(F)C(F)(F)C(F)(F)[N+](C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)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.
What is the InChIKey of [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium?
The InChIKey is MIHSTRJUIZHBCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C17F36N2O/c18-2(19,1(56)54-13(41,42)11(36,37)14(43,44)55(15(45,46)47,16(48,49)50)17(51,52)53)3(20,21)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)12(38,39)40/p+1.
What are the key properties of [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium?
[1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium has a molecular weight of 933.14 g/mol, XLogP of 10.58, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-tris(trifluoromethyl)azanium is sourced from PubChem (CID 175334858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).