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-hexacosafluorotetradecyl(trimethyl)azanium

C17H12F26N+ — CID 163324373

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-hexacosafluorotetradecyl(trimethyl)azanium
SMILESC[N+](C)(C)CC(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)C(F)(F)C(F)F
InChIInChI=1S/C17H12F26N/c1-44(2,3)4-6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)17(42,43)15(38,39)13(34,35)11(30,31)9(26,27)7(22,23)5(18)19/h5H,4H2,1-3H3/q+1
InChIKeyFZFDKQGOSXJCNH-UHFFFAOYSA-N
MW724.24 g/mol
LogP8.58
Rot. Bonds14

About 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-hexacosafluorotetradecyl(trimethyl)azanium

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-hexacosafluorotetradecyl(trimethyl)azanium (PubChem CID 163324373) has the molecular formula C17H12F26N+ and a molecular weight of 724.24 g/mol. Its IUPAC name is 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-hexacosafluorotetradecyl(trimethyl)azanium.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-hexacosafluorotetradecyl(trimethyl)azanium
PubChem CID163324373
Molecular FormulaC17H12F26N+
Molecular Weight724.24 g/mol
Exact Mass724.05
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-hexacosafluorotetradecyl(trimethyl)azanium
SMILESC[N+](C)(C)CC(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)C(F)(F)C(F)F
InChIInChI=1S/C17H12F26N/c1-44(2,3)4-6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)17(42,43)15(38,39)13(34,35)11(30,31)9(26,27)7(22,23)5(18)19/h5H,4H2,1-3H3/q+1
InChIKeyFZFDKQGOSXJCNH-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.24
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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-hexacosafluorotetradecyl(trimethyl)azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-hexacosafluorotetradecyl(trimethyl)azanium?
The IUPAC name of 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-hexacosafluorotetradecyl(trimethyl)azanium (CID 163324373) is 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-hexacosafluorotetradecyl(trimethyl)azanium.
What is the SMILES notation for 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-hexacosafluorotetradecyl(trimethyl)azanium?
The canonical SMILES for 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-hexacosafluorotetradecyl(trimethyl)azanium is C[N+](C)(C)CC(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)C(F)(F)C(F)F.
What is the InChIKey of 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-hexacosafluorotetradecyl(trimethyl)azanium?
The InChIKey is FZFDKQGOSXJCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F26N/c1-44(2,3)4-6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)17(42,43)15(38,39)13(34,35)11(30,31)9(26,27)7(22,23)5(18)19/h5H,4H2,1-3H3/q+1.
What are the key properties of 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-hexacosafluorotetradecyl(trimethyl)azanium?
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-hexacosafluorotetradecyl(trimethyl)azanium has a molecular weight of 724.24 g/mol, XLogP of 8.58, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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-hexacosafluorotetradecyl(trimethyl)azanium is sourced from PubChem (CID 163324373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).