2-(diethylamino)ethane-1,1-disulfonyl fluoride

C6H13F2NO4S2 — CID 175600522

IUPAC2-(diethylamino)ethane-1,1-disulfonyl fluoride
SMILESCCN(CC)CC(S(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C6H13F2NO4S2/c1-3-9(4-2)5-6(14(7,10)11)15(8,12)13/h6H,3-5H2,1-2H3
InChIKeyQYTNZMAKIRINGB-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.25
Rot. Bonds6

About 2-(diethylamino)ethane-1,1-disulfonyl fluoride

2-(diethylamino)ethane-1,1-disulfonyl fluoride (PubChem CID 175600522) has the molecular formula C6H13F2NO4S2 and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-(diethylamino)ethane-1,1-disulfonyl fluoride.

Molecular Properties

Compound Name2-(diethylamino)ethane-1,1-disulfonyl fluoride
PubChem CID175600522
Molecular FormulaC6H13F2NO4S2
Molecular Weight265.30 g/mol
Exact Mass265.03
IUPAC Name2-(diethylamino)ethane-1,1-disulfonyl fluoride
SMILESCCN(CC)CC(S(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C6H13F2NO4S2/c1-3-9(4-2)5-6(14(7,10)11)15(8,12)13/h6H,3-5H2,1-2H3
InChIKeyQYTNZMAKIRINGB-UHFFFAOYSA-N
XLogP0.25
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethane-1,1-disulfonyl fluoride?
The IUPAC name of 2-(diethylamino)ethane-1,1-disulfonyl fluoride (CID 175600522) is 2-(diethylamino)ethane-1,1-disulfonyl fluoride.
What is the SMILES notation for 2-(diethylamino)ethane-1,1-disulfonyl fluoride?
The canonical SMILES for 2-(diethylamino)ethane-1,1-disulfonyl fluoride is CCN(CC)CC(S(=O)(=O)F)S(=O)(=O)F.
What is the InChIKey of 2-(diethylamino)ethane-1,1-disulfonyl fluoride?
The InChIKey is QYTNZMAKIRINGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO4S2/c1-3-9(4-2)5-6(14(7,10)11)15(8,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 2-(diethylamino)ethane-1,1-disulfonyl fluoride?
2-(diethylamino)ethane-1,1-disulfonyl fluoride has a molecular weight of 265.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethane-1,1-disulfonyl fluoride is sourced from PubChem (CID 175600522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).