1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate

C8H16F2O6S2 — CID 87183905

IUPAC1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate
SMILESCC(OS(=O)(=O)C(C)(C)F)OS(=O)(=O)C(C)(C)F
InChIInChI=1S/C8H16F2O6S2/c1-6(15-17(11,12)7(2,3)9)16-18(13,14)8(4,5)10/h6H,1-5H3
InChIKeyQKNXEAPZEMDJII-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.44
Rot. Bonds6

About 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate

1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate (PubChem CID 87183905) has the molecular formula C8H16F2O6S2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate.

Molecular Properties

Compound Name1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate
PubChem CID87183905
Molecular FormulaC8H16F2O6S2
Molecular Weight310.34 g/mol
Exact Mass310.04
IUPAC Name1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate
SMILESCC(OS(=O)(=O)C(C)(C)F)OS(=O)(=O)C(C)(C)F
InChIInChI=1S/C8H16F2O6S2/c1-6(15-17(11,12)7(2,3)9)16-18(13,14)8(4,5)10/h6H,1-5H3
InChIKeyQKNXEAPZEMDJII-UHFFFAOYSA-N
XLogP1.44
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate?
The IUPAC name of 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate (CID 87183905) is 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate.
What is the SMILES notation for 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate?
The canonical SMILES for 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate is CC(OS(=O)(=O)C(C)(C)F)OS(=O)(=O)C(C)(C)F.
What is the InChIKey of 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate?
The InChIKey is QKNXEAPZEMDJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O6S2/c1-6(15-17(11,12)7(2,3)9)16-18(13,14)8(4,5)10/h6H,1-5H3.
What are the key properties of 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate?
1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate has a molecular weight of 310.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropan-2-ylsulfonyloxy)ethyl 2-fluoropropane-2-sulfonate is sourced from PubChem (CID 87183905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).