1-(trifluoromethylsulfonylmethylsulfonyl)ethane

C4H7F3O4S2 — CID 123864509

IUPAC1-(trifluoromethylsulfonylmethylsulfonyl)ethane
SMILESCCS(=O)(=O)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O4S2/c1-2-12(8,9)3-13(10,11)4(5,6)7/h2-3H2,1H3
InChIKeyUCWLPEJPOFBSDU-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.31
Rot. Bonds3

About 1-(trifluoromethylsulfonylmethylsulfonyl)ethane

1-(trifluoromethylsulfonylmethylsulfonyl)ethane (PubChem CID 123864509) has the molecular formula C4H7F3O4S2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonylmethylsulfonyl)ethane.

Molecular Properties

Compound Name1-(trifluoromethylsulfonylmethylsulfonyl)ethane
PubChem CID123864509
Molecular FormulaC4H7F3O4S2
Molecular Weight240.22 g/mol
Exact Mass239.97
IUPAC Name1-(trifluoromethylsulfonylmethylsulfonyl)ethane
SMILESCCS(=O)(=O)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O4S2/c1-2-12(8,9)3-13(10,11)4(5,6)7/h2-3H2,1H3
InChIKeyUCWLPEJPOFBSDU-UHFFFAOYSA-N
XLogP0.31
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride
CID 86749078
1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
1-(trifluoromethylsulfonylmethylsulfanyl)ethane
CID 131227193
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
5-(trifluoromethylsulfonyl)pentan-1-amine
CID 87227705
bis(trifluoromethylsulfonyl)azanide;triethylazanium
CID 11014427
N-butyl-1,1-difluoro-1-(trifluoromethylsulfonylmethylsulfonyl)methanesulfonamide
CID 90329011
tricosane;trifluoromethanesulfonic acid
CID 161255361
N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 165346498
decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584
octadecan-1-amine;bis(trifluoromethanesulfonamide)
CID 118481612
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonylmethylsulfonyl)ethane?
The IUPAC name of 1-(trifluoromethylsulfonylmethylsulfonyl)ethane (CID 123864509) is 1-(trifluoromethylsulfonylmethylsulfonyl)ethane.
What is the SMILES notation for 1-(trifluoromethylsulfonylmethylsulfonyl)ethane?
The canonical SMILES for 1-(trifluoromethylsulfonylmethylsulfonyl)ethane is CCS(=O)(=O)CS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonylmethylsulfonyl)ethane?
The InChIKey is UCWLPEJPOFBSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O4S2/c1-2-12(8,9)3-13(10,11)4(5,6)7/h2-3H2,1H3.
What are the key properties of 1-(trifluoromethylsulfonylmethylsulfonyl)ethane?
1-(trifluoromethylsulfonylmethylsulfonyl)ethane has a molecular weight of 240.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonylmethylsulfonyl)ethane is sourced from PubChem (CID 123864509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).