nonan-2-ylsulfanium hexafluorophosphate

C9H21F6PS — CID 156625464

IUPACnonan-2-ylsulfanium hexafluorophosphate
SMILESCCCCCCCC(C)[SH2+].F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H20S.F6P/c1-3-4-5-6-7-8-9(2)10;1-7(2,3,4,5)6/h9-10H,3-8H2,1-2H3;/q;-1/p+1
InChIKeyWBHLEZHMVKOLQF-UHFFFAOYSA-O
MW306.30 g/mol
LogP6.13
Rot. Bonds6

About nonan-2-ylsulfanium hexafluorophosphate

nonan-2-ylsulfanium hexafluorophosphate (PubChem CID 156625464) has the molecular formula C9H21F6PS and a molecular weight of 306.30 g/mol. Its IUPAC name is nonan-2-ylsulfanium hexafluorophosphate.

Molecular Properties

Compound Namenonan-2-ylsulfanium hexafluorophosphate
PubChem CID156625464
Molecular FormulaC9H21F6PS
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Namenonan-2-ylsulfanium hexafluorophosphate
SMILESCCCCCCCC(C)[SH2+].F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H20S.F6P/c1-3-4-5-6-7-8-9(2)10;1-7(2,3,4,5)6/h9-10H,3-8H2,1-2H3;/q;-1/p+1
InChIKeyWBHLEZHMVKOLQF-UHFFFAOYSA-O
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.30
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(decyl)phosphanium hexafluorophosphate
CID 23087009
tributyl(tetradecyl)phosphanium hexafluorophosphate
CID 23087004
2-fluorohenicosane
CID 91354486
(7R)-7-methyltricosane
CID 162971691
6-methyloctacosane
CID 22223942
11,12-dimethyltricosane
CID 173430605
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
2-methylpentaoctacontane
CID 90745672
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619

Frequently Asked Questions

What is the IUPAC name of nonan-2-ylsulfanium hexafluorophosphate?
The IUPAC name of nonan-2-ylsulfanium hexafluorophosphate (CID 156625464) is nonan-2-ylsulfanium hexafluorophosphate.
What is the SMILES notation for nonan-2-ylsulfanium hexafluorophosphate?
The canonical SMILES for nonan-2-ylsulfanium hexafluorophosphate is CCCCCCCC(C)[SH2+].F[P-](F)(F)(F)(F)F.
What is the InChIKey of nonan-2-ylsulfanium hexafluorophosphate?
The InChIKey is WBHLEZHMVKOLQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H20S.F6P/c1-3-4-5-6-7-8-9(2)10;1-7(2,3,4,5)6/h9-10H,3-8H2,1-2H3;/q;-1/p+1.
What are the key properties of nonan-2-ylsulfanium hexafluorophosphate?
nonan-2-ylsulfanium hexafluorophosphate has a molecular weight of 306.30 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-2-ylsulfanium hexafluorophosphate is sourced from PubChem (CID 156625464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).