1-(trifluoromethylsulfonylmethylsulfanyl)ethane

C4H7F3O2S2 — CID 131227193

IUPAC1-(trifluoromethylsulfonylmethylsulfanyl)ethane
SMILESCCSCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O2S2/c1-2-10-3-11(8,9)4(5,6)7/h2-3H2,1H3
InChIKeyRUFXUNWKXJRSLC-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.63
Rot. Bonds3

About 1-(trifluoromethylsulfonylmethylsulfanyl)ethane

1-(trifluoromethylsulfonylmethylsulfanyl)ethane (PubChem CID 131227193) has the molecular formula C4H7F3O2S2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonylmethylsulfanyl)ethane.

Molecular Properties

Compound Name1-(trifluoromethylsulfonylmethylsulfanyl)ethane
PubChem CID131227193
Molecular FormulaC4H7F3O2S2
Molecular Weight208.23 g/mol
Exact Mass207.98
IUPAC Name1-(trifluoromethylsulfonylmethylsulfanyl)ethane
SMILESCCSCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O2S2/c1-2-10-3-11(8,9)4(5,6)7/h2-3H2,1H3
InChIKeyRUFXUNWKXJRSLC-UHFFFAOYSA-N
XLogP1.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(trifluoromethylsulfonylmethylsulfonyl)ethane
CID 123864509
1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-propylazanium
CID 71310880
bis(trifluoromethylsulfonyl)azanide;triethylazanium
CID 11014427
ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175259089
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 165346498
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
bis(trifluoromethylsulfonyl)azanide;triheptylazanium
CID 134716538
1-(trifluoromethylsulfanylsulfonyl)ethane
CID 139934250
magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride
CID 86749078

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonylmethylsulfanyl)ethane?
The IUPAC name of 1-(trifluoromethylsulfonylmethylsulfanyl)ethane (CID 131227193) is 1-(trifluoromethylsulfonylmethylsulfanyl)ethane.
What is the SMILES notation for 1-(trifluoromethylsulfonylmethylsulfanyl)ethane?
The canonical SMILES for 1-(trifluoromethylsulfonylmethylsulfanyl)ethane is CCSCS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonylmethylsulfanyl)ethane?
The InChIKey is RUFXUNWKXJRSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O2S2/c1-2-10-3-11(8,9)4(5,6)7/h2-3H2,1H3.
What are the key properties of 1-(trifluoromethylsulfonylmethylsulfanyl)ethane?
1-(trifluoromethylsulfonylmethylsulfanyl)ethane has a molecular weight of 208.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonylmethylsulfanyl)ethane is sourced from PubChem (CID 131227193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).