10-fluoropentacosane-10-sulfonate;tetraethylazanium

C33H70FNO3S — CID 175157092

IUPAC10-fluoropentacosane-10-sulfonate;tetraethylazanium
SMILESCCCCCCCCCCCCCCCC(F)(CCCCCCCCC)S(=O)(=O)[O-].CC[N+](CC)(CC)CC
InChIInChI=1S/C25H51FO3S.C8H20N/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-25(26,30(27,28)29)23-21-19-17-10-8-6-4-2;1-5-9(6-2,7-3)8-4/h3-24H2,1-2H3,(H,27,28,29);5-8H2,1-4H3/q;+1/p-1
InChIKeyBDFWCBMNMGYQDU-UHFFFAOYSA-M
MW579.99 g/mol
LogP10.70
Rot. Bonds27

About 10-fluoropentacosane-10-sulfonate;tetraethylazanium

10-fluoropentacosane-10-sulfonate;tetraethylazanium (PubChem CID 175157092) has the molecular formula C33H70FNO3S and a molecular weight of 579.99 g/mol. Its IUPAC name is 10-fluoropentacosane-10-sulfonate;tetraethylazanium.

Molecular Properties

Compound Name10-fluoropentacosane-10-sulfonate;tetraethylazanium
PubChem CID175157092
Molecular FormulaC33H70FNO3S
Molecular Weight579.99 g/mol
Exact Mass579.51
IUPAC Name10-fluoropentacosane-10-sulfonate;tetraethylazanium
SMILESCCCCCCCCCCCCCCCC(F)(CCCCCCCCC)S(=O)(=O)[O-].CC[N+](CC)(CC)CC
InChIInChI=1S/C25H51FO3S.C8H20N/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-25(26,30(27,28)29)23-21-19-17-10-8-6-4-2;1-5-9(6-2,7-3)8-4/h3-24H2,1-2H3,(H,27,28,29);5-8H2,1-4H3/q;+1/p-1
InChIKeyBDFWCBMNMGYQDU-UHFFFAOYSA-M
XLogP10.70
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.99
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

potassium 12-fluoropentacosane-12-sulfonate
CID 175528903
sodium 12-fluoropentacosane-12-sulfonate
CID 175529495
1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium
CID 122481434
1,1-difluorobutane-1-sulfonate;tetraethylazanium
CID 122481605
lithium 1,1-difluorohexane-1-sulfonate
CID 122481859
1,1,2,2,3,3-hexafluoroheptane-1-sulfonate;tetraethylazanium
CID 122481488
1,1,2,2,8,8,8-heptafluorooctane-1-sulfonate;tetraethylazanium
CID 141492168
diethyl(dioctadecyl)azanium;1,1,2,2,2-pentafluoroethanesulfonate
CID 19898468
dodecane-1-sulfonate;tetraethylazanium
CID 88607705
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonate;tetraethylazanium
CID 122482084
bis(triethyl(hexadecyl)azanium);sulfate
CID 139922163
1-fluorotridecane-1-sulfonate;tetraethylazanium
CID 175169850

Frequently Asked Questions

What is the IUPAC name of 10-fluoropentacosane-10-sulfonate;tetraethylazanium?
The IUPAC name of 10-fluoropentacosane-10-sulfonate;tetraethylazanium (CID 175157092) is 10-fluoropentacosane-10-sulfonate;tetraethylazanium.
What is the SMILES notation for 10-fluoropentacosane-10-sulfonate;tetraethylazanium?
The canonical SMILES for 10-fluoropentacosane-10-sulfonate;tetraethylazanium is CCCCCCCCCCCCCCCC(F)(CCCCCCCCC)S(=O)(=O)[O-].CC[N+](CC)(CC)CC.
What is the InChIKey of 10-fluoropentacosane-10-sulfonate;tetraethylazanium?
The InChIKey is BDFWCBMNMGYQDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H51FO3S.C8H20N/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-25(26,30(27,28)29)23-21-19-17-10-8-6-4-2;1-5-9(6-2,7-3)8-4/h3-24H2,1-2H3,(H,27,28,29);5-8H2,1-4H3/q;+1/p-1.
What are the key properties of 10-fluoropentacosane-10-sulfonate;tetraethylazanium?
10-fluoropentacosane-10-sulfonate;tetraethylazanium has a molecular weight of 579.99 g/mol, XLogP of 10.70, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoropentacosane-10-sulfonate;tetraethylazanium is sourced from PubChem (CID 175157092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).