N,N-diethylethanamine;sulfurofluoridic acid

C6H16FNO3S — CID 14717881

IUPACN,N-diethylethanamine;sulfurofluoridic acid
SMILESCCN(CC)CC.O=S(=O)(O)F
InChIInChI=1S/C6H15N.FHO3S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H,2,3,4)
InChIKeyIQQPEXLMLGEVDX-UHFFFAOYSA-N
MW201.26 g/mol
LogP1.11
Rot. Bonds3

About N,N-diethylethanamine;sulfurofluoridic acid

N,N-diethylethanamine;sulfurofluoridic acid (PubChem CID 14717881) has the molecular formula C6H16FNO3S and a molecular weight of 201.26 g/mol. Its IUPAC name is N,N-diethylethanamine;sulfurofluoridic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;sulfurofluoridic acid
PubChem CID14717881
Molecular FormulaC6H16FNO3S
Molecular Weight201.26 g/mol
Exact Mass201.08
IUPAC NameN,N-diethylethanamine;sulfurofluoridic acid
SMILESCCN(CC)CC.O=S(=O)(O)F
InChIInChI=1S/C6H15N.FHO3S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H,2,3,4)
InChIKeyIQQPEXLMLGEVDX-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;sulfurofluoridic acid?
The IUPAC name of N,N-diethylethanamine;sulfurofluoridic acid (CID 14717881) is N,N-diethylethanamine;sulfurofluoridic acid.
What is the SMILES notation for N,N-diethylethanamine;sulfurofluoridic acid?
The canonical SMILES for N,N-diethylethanamine;sulfurofluoridic acid is CCN(CC)CC.O=S(=O)(O)F.
What is the InChIKey of N,N-diethylethanamine;sulfurofluoridic acid?
The InChIKey is IQQPEXLMLGEVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.FHO3S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H,2,3,4).
What are the key properties of N,N-diethylethanamine;sulfurofluoridic acid?
N,N-diethylethanamine;sulfurofluoridic acid has a molecular weight of 201.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;sulfurofluoridic acid is sourced from PubChem (CID 14717881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).