fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium

C19H30F6NO3S+ — CID 175313038

IUPACfluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.O=S(=O)(OF)C(F)(F)CCCCCC(F)(F)F
InChIInChI=1S/C12H20N.C7H10F6O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;8-6(9,10)4-2-1-3-5-7(11,12)17(14,15)16-13/h5-8H,1-4,9-12H2;1-5H2/q+1;
InChIKeyZEHDEXGYPQKVPG-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.87
Rot. Bonds15

About fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium

fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium (PubChem CID 175313038) has the molecular formula C19H30F6NO3S+ and a molecular weight of 466.51 g/mol. Its IUPAC name is fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium.

Molecular Properties

Compound Namefluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium
PubChem CID175313038
Molecular FormulaC19H30F6NO3S+
Molecular Weight466.51 g/mol
Exact Mass466.18
IUPAC Namefluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.O=S(=O)(OF)C(F)(F)CCCCCC(F)(F)F
InChIInChI=1S/C12H20N.C7H10F6O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;8-6(9,10)4-2-1-3-5-7(11,12)17(14,15)16-13/h5-8H,1-4,9-12H2;1-5H2/q+1;
InChIKeyZEHDEXGYPQKVPG-UHFFFAOYSA-N
XLogP5.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium?
The IUPAC name of fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium (CID 175313038) is fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium.
What is the SMILES notation for fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium?
The canonical SMILES for fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC=C)CC=C.O=S(=O)(OF)C(F)(F)CCCCCC(F)(F)F.
What is the InChIKey of fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium?
The InChIKey is ZEHDEXGYPQKVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.C7H10F6O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;8-6(9,10)4-2-1-3-5-7(11,12)17(14,15)16-13/h5-8H,1-4,9-12H2;1-5H2/q+1;.
What are the key properties of fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium?
fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium has a molecular weight of 466.51 g/mol, XLogP of 5.87, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1,1,7,7,7-pentafluoroheptane-1-sulfonate;tetrakis(prop-2-enyl)azanium is sourced from PubChem (CID 175313038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).