5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid

C10H19F4NO4S — CID 118030876

IUPAC5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid
SMILESCCN(CC)CC(CC(F)(F)C(F)(F)S(=O)(=O)O)OC
InChIInChI=1S/C10H19F4NO4S/c1-4-15(5-2)7-8(19-3)6-9(11,12)10(13,14)20(16,17)18/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyHENRJJXMRNJTOA-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.85
Rot. Bonds9

About 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid

5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid (PubChem CID 118030876) has the molecular formula C10H19F4NO4S and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid.

Molecular Properties

Compound Name5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid
PubChem CID118030876
Molecular FormulaC10H19F4NO4S
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid
SMILESCCN(CC)CC(CC(F)(F)C(F)(F)S(=O)(=O)O)OC
InChIInChI=1S/C10H19F4NO4S/c1-4-15(5-2)7-8(19-3)6-9(11,12)10(13,14)20(16,17)18/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyHENRJJXMRNJTOA-UHFFFAOYSA-N
XLogP1.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid?
The IUPAC name of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid (CID 118030876) is 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid.
What is the SMILES notation for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid?
The canonical SMILES for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid is CCN(CC)CC(CC(F)(F)C(F)(F)S(=O)(=O)O)OC.
What is the InChIKey of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid?
The InChIKey is HENRJJXMRNJTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO4S/c1-4-15(5-2)7-8(19-3)6-9(11,12)10(13,14)20(16,17)18/h8H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid?
5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid has a molecular weight of 325.32 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid is sourced from PubChem (CID 118030876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).