dimethylamino hydrogen sulfate;trihydrofluoride

C2H10F3NO4S — CID 172681475

IUPACdimethylamino hydrogen sulfate;trihydrofluoride
SMILESCN(C)OS(=O)(=O)O.F.F.F
InChIInChI=1S/C2H7NO4S.3FH/c1-3(2)7-8(4,5)6;;;/h1-2H3,(H,4,5,6);3*1H
InChIKeyALOULQODUFAFQA-UHFFFAOYSA-N
MW201.17 g/mol
LogP-0.26
Rot. Bonds2

About dimethylamino hydrogen sulfate;trihydrofluoride

dimethylamino hydrogen sulfate;trihydrofluoride (PubChem CID 172681475) has the molecular formula C2H10F3NO4S and a molecular weight of 201.17 g/mol. Its IUPAC name is dimethylamino hydrogen sulfate;trihydrofluoride.

Molecular Properties

Compound Namedimethylamino hydrogen sulfate;trihydrofluoride
PubChem CID172681475
Molecular FormulaC2H10F3NO4S
Molecular Weight201.17 g/mol
Exact Mass201.03
IUPAC Namedimethylamino hydrogen sulfate;trihydrofluoride
SMILESCN(C)OS(=O)(=O)O.F.F.F
InChIInChI=1S/C2H7NO4S.3FH/c1-3(2)7-8(4,5)6;;;/h1-2H3,(H,4,5,6);3*1H
InChIKeyALOULQODUFAFQA-UHFFFAOYSA-N
XLogP-0.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

dimethylamino hydrogen sulfate
CID 23081915
dimethylamino propyl sulfate
CID 165093192
methyl hydrogen sulfate;hydrobromide
CID 87338714
copper;methyl hydrogen sulfate
CID 175275891
acetonitrile;bis(N,N-dimethylmethanamine);sulfo hydrogen sulfate
CID 174669975
[bis(2-methoxyethyl)amino] hydrogen sulfate;trihydrochloride
CID 173075807
azane;hydroxy hydrogen sulfate;2-methylprop-1-ene
CID 174737556
bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid
CID 174527843
N,N-dimethylformamide;sulfoperoxy hydrogen sulfate
CID 22602657
2-(dimethylamino)ethyl hydrogen sulfate
CID 12574414
sulfooxy hydrogen sulfate
CID 24413
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854

Frequently Asked Questions

What is the IUPAC name of dimethylamino hydrogen sulfate;trihydrofluoride?
The IUPAC name of dimethylamino hydrogen sulfate;trihydrofluoride (CID 172681475) is dimethylamino hydrogen sulfate;trihydrofluoride.
What is the SMILES notation for dimethylamino hydrogen sulfate;trihydrofluoride?
The canonical SMILES for dimethylamino hydrogen sulfate;trihydrofluoride is CN(C)OS(=O)(=O)O.F.F.F.
What is the InChIKey of dimethylamino hydrogen sulfate;trihydrofluoride?
The InChIKey is ALOULQODUFAFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4S.3FH/c1-3(2)7-8(4,5)6;;;/h1-2H3,(H,4,5,6);3*1H.
What are the key properties of dimethylamino hydrogen sulfate;trihydrofluoride?
dimethylamino hydrogen sulfate;trihydrofluoride has a molecular weight of 201.17 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino hydrogen sulfate;trihydrofluoride is sourced from PubChem (CID 172681475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).