fluoro octane-1-sulfonate;octadecan-1-amine

C26H56FNO3S — CID 174821915

IUPACfluoro octane-1-sulfonate;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.CCCCCCCCS(=O)(=O)OF
InChIInChI=1S/C18H39N.C8H17FO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-13(10,11)12-9/h2-19H2,1H3;2-8H2,1H3
InChIKeyBSHQFXRJUPSSHR-UHFFFAOYSA-N
MW481.80 g/mol
LogP8.78
Rot. Bonds24

About fluoro octane-1-sulfonate;octadecan-1-amine

fluoro octane-1-sulfonate;octadecan-1-amine (PubChem CID 174821915) has the molecular formula C26H56FNO3S and a molecular weight of 481.80 g/mol. Its IUPAC name is fluoro octane-1-sulfonate;octadecan-1-amine.

Molecular Properties

Compound Namefluoro octane-1-sulfonate;octadecan-1-amine
PubChem CID174821915
Molecular FormulaC26H56FNO3S
Molecular Weight481.80 g/mol
Exact Mass481.40
IUPAC Namefluoro octane-1-sulfonate;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.CCCCCCCCS(=O)(=O)OF
InChIInChI=1S/C18H39N.C8H17FO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-13(10,11)12-9/h2-19H2,1H3;2-8H2,1H3
InChIKeyBSHQFXRJUPSSHR-UHFFFAOYSA-N
XLogP8.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.80
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

fluoro octane-1-sulfonate;zirconium
CID 175196316
potassium;fluoro nonane-1-sulfonate;hydride
CID 175529463
fluoro octane-1-sulfonate;tetrapropylazanium
CID 174418186
calcium;fluoro butane-1-sulfonate;hydride
CID 175424220
fluoro undecane-1-sulfonate;pyridine
CID 175161827
lithium octane-1-sulfonoperoxoate
CID 158949826
5-butylsulfonylpentan-1-amine
CID 64698649
bis(nonan-1-amine);sulfate
CID 21153128
bis(nonan-1-amine);sulfuric acid
CID 3055201
dimethyl sulfate;octadecan-1-amine
CID 174658904
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481

Frequently Asked Questions

What is the IUPAC name of fluoro octane-1-sulfonate;octadecan-1-amine?
The IUPAC name of fluoro octane-1-sulfonate;octadecan-1-amine (CID 174821915) is fluoro octane-1-sulfonate;octadecan-1-amine.
What is the SMILES notation for fluoro octane-1-sulfonate;octadecan-1-amine?
The canonical SMILES for fluoro octane-1-sulfonate;octadecan-1-amine is CCCCCCCCCCCCCCCCCCN.CCCCCCCCS(=O)(=O)OF.
What is the InChIKey of fluoro octane-1-sulfonate;octadecan-1-amine?
The InChIKey is BSHQFXRJUPSSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C8H17FO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-13(10,11)12-9/h2-19H2,1H3;2-8H2,1H3.
What are the key properties of fluoro octane-1-sulfonate;octadecan-1-amine?
fluoro octane-1-sulfonate;octadecan-1-amine has a molecular weight of 481.80 g/mol, XLogP of 8.78, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro octane-1-sulfonate;octadecan-1-amine is sourced from PubChem (CID 174821915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).