1,2-bis(trifluoromethylsulfonyl)ethane

C4H4F6O4S2 — CID 141114696

IUPAC1,2-bis(trifluoromethylsulfonyl)ethane
SMILESO=S(=O)(CCS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6O4S2/c5-3(6,7)15(11,12)1-2-16(13,14)4(8,9)10/h1-2H2
InChIKeyOTZCLLWKPLMQTE-UHFFFAOYSA-N
MW294.19 g/mol
LogP0.86
Rot. Bonds3

About 1,2-bis(trifluoromethylsulfonyl)ethane

1,2-bis(trifluoromethylsulfonyl)ethane (PubChem CID 141114696) has the molecular formula C4H4F6O4S2 and a molecular weight of 294.19 g/mol. Its IUPAC name is 1,2-bis(trifluoromethylsulfonyl)ethane.

Molecular Properties

Compound Name1,2-bis(trifluoromethylsulfonyl)ethane
PubChem CID141114696
Molecular FormulaC4H4F6O4S2
Molecular Weight294.19 g/mol
Exact Mass293.95
IUPAC Name1,2-bis(trifluoromethylsulfonyl)ethane
SMILESO=S(=O)(CCS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6O4S2/c5-3(6,7)15(11,12)1-2-16(13,14)4(8,9)10/h1-2H2
InChIKeyOTZCLLWKPLMQTE-UHFFFAOYSA-N
XLogP0.86
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2-bis(trifluoromethylsulfonyl)ethane with MolForge

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

Launch Full Analysis

Related Compounds

5-(trifluoromethylsulfonyl)pentan-1-amine
CID 87227705
N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 165346498
methyl 3-(trifluoromethylsulfonyl)propanoate
CID 122163754
magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride
CID 86749078
1,3-bis[2-(trifluoromethylsulfonyl)ethyl]-2H-imidazole
CID 87278898
1-(trifluoromethylsulfonylmethylsulfonyl)ethane
CID 123864509
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
fluoro(trifluoromethylsulfonyl)azanide
CID 154510873
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
2-(trifluoromethylsulfonyl)ethyl propanoate
CID 174567450
magnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);manganese(2+)
CID 163413533

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(trifluoromethylsulfonyl)ethane?
The IUPAC name of 1,2-bis(trifluoromethylsulfonyl)ethane (CID 141114696) is 1,2-bis(trifluoromethylsulfonyl)ethane.
What is the SMILES notation for 1,2-bis(trifluoromethylsulfonyl)ethane?
The canonical SMILES for 1,2-bis(trifluoromethylsulfonyl)ethane is O=S(=O)(CCS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2-bis(trifluoromethylsulfonyl)ethane?
The InChIKey is OTZCLLWKPLMQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O4S2/c5-3(6,7)15(11,12)1-2-16(13,14)4(8,9)10/h1-2H2.
What are the key properties of 1,2-bis(trifluoromethylsulfonyl)ethane?
1,2-bis(trifluoromethylsulfonyl)ethane has a molecular weight of 294.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(trifluoromethylsulfonyl)ethane is sourced from PubChem (CID 141114696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).