1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane

C6H5F9O6S3 — CID 59584395

IUPAC1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane
SMILESO=S(=O)(CC(F)(F)F)C(S(=O)(=O)CC(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H5F9O6S3/c7-4(8,9)1-22(16,17)3(24(20,21)6(13,14)15)23(18,19)2-5(10,11)12/h3H,1-2H2
InChIKeyHDORFXFKPDXUOF-UHFFFAOYSA-N
MW440.28 g/mol
LogP1.16
Rot. Bonds5

About 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane

1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane (PubChem CID 59584395) has the molecular formula C6H5F9O6S3 and a molecular weight of 440.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane
PubChem CID59584395
Molecular FormulaC6H5F9O6S3
Molecular Weight440.28 g/mol
Exact Mass439.91
IUPAC Name1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane
SMILESO=S(=O)(CC(F)(F)F)C(S(=O)(=O)CC(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H5F9O6S3/c7-4(8,9)1-22(16,17)3(24(20,21)6(13,14)15)23(18,19)2-5(10,11)12/h3H,1-2H2
InChIKeyHDORFXFKPDXUOF-UHFFFAOYSA-N
XLogP1.16
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane 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 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane?
The IUPAC name of 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane (CID 59584395) is 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane?
The canonical SMILES for 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane is O=S(=O)(CC(F)(F)F)C(S(=O)(=O)CC(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane?
The InChIKey is HDORFXFKPDXUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O6S3/c7-4(8,9)1-22(16,17)3(24(20,21)6(13,14)15)23(18,19)2-5(10,11)12/h3H,1-2H2.
What are the key properties of 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane?
1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane has a molecular weight of 440.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2,2,2-trifluoroethylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylethane is sourced from PubChem (CID 59584395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).