dimethylazanium;5-fluoropentane-1-sulfonate

C7H18FNO3S — CID 122480961

IUPACdimethylazanium;5-fluoropentane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])CCCCCF
InChIInChI=1S/C5H11FO3S.C2H7N/c6-4-2-1-3-5-10(7,8)9;1-3-2/h1-5H2,(H,7,8,9);3H,1-2H3
InChIKeyRKNWYYZZZHRMDQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP-0.52
Rot. Bonds5

About dimethylazanium;5-fluoropentane-1-sulfonate

dimethylazanium;5-fluoropentane-1-sulfonate (PubChem CID 122480961) has the molecular formula C7H18FNO3S and a molecular weight of 215.29 g/mol. Its IUPAC name is dimethylazanium;5-fluoropentane-1-sulfonate.

Molecular Properties

Compound Namedimethylazanium;5-fluoropentane-1-sulfonate
PubChem CID122480961
Molecular FormulaC7H18FNO3S
Molecular Weight215.29 g/mol
Exact Mass215.10
IUPAC Namedimethylazanium;5-fluoropentane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])CCCCCF
InChIInChI=1S/C5H11FO3S.C2H7N/c6-4-2-1-3-5-10(7,8)9;1-3-2/h1-5H2,(H,7,8,9);3H,1-2H3
InChIKeyRKNWYYZZZHRMDQ-UHFFFAOYSA-N
XLogP-0.52
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Trimethylammonium propylsulfonate
CID 19774868
Propylsulfonate dimethylammonium
CID 19978841
Tri-methylammonium-butane sulfonate
CID 129847760
Dimethylazanium;8,8,8-trifluorooctane-1-sulfonate
CID 134206296
5,5-Difluoropentane-1-sulfonate;dimethylazanium
CID 134206531
Dimethylazanium;7,7,7-trifluoroheptane-1-sulfonate
CID 134206582
Dimethylazanium;10,10,10-trifluorodecane-1-sulfonate
CID 134206587
4,4-Difluorobutane-1-sulfonate;dimethylazanium
CID 134206809
Dimethylazanium;11,11,11-trifluoroundecane-1-sulfonate
CID 134206880
Dimethylazanium;5,5,5-trifluoropentane-1-sulfonate
CID 134206896
9,9-Difluorononane-1-sulfonate;dimethylazanium
CID 134206928
Dimethylazanium;6,6,6-trifluorohexane-1-sulfonate
CID 134206981

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;5-fluoropentane-1-sulfonate?
The IUPAC name of dimethylazanium;5-fluoropentane-1-sulfonate (CID 122480961) is dimethylazanium;5-fluoropentane-1-sulfonate.
What is the SMILES notation for dimethylazanium;5-fluoropentane-1-sulfonate?
The canonical SMILES for dimethylazanium;5-fluoropentane-1-sulfonate is C[NH2+]C.O=S(=O)([O-])CCCCCF.
What is the InChIKey of dimethylazanium;5-fluoropentane-1-sulfonate?
The InChIKey is RKNWYYZZZHRMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3S.C2H7N/c6-4-2-1-3-5-10(7,8)9;1-3-2/h1-5H2,(H,7,8,9);3H,1-2H3.
What are the key properties of dimethylazanium;5-fluoropentane-1-sulfonate?
dimethylazanium;5-fluoropentane-1-sulfonate has a molecular weight of 215.29 g/mol, XLogP of -0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;5-fluoropentane-1-sulfonate is sourced from PubChem (CID 122480961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).