1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane

C4H4F6O2S — CID 82018244

IUPAC1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane
SMILESO=S(=O)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C4H4F6O2S/c5-3(6,7)1-13(11,12)2-4(8,9)10/h1-2H2
InChIKeyHGQHVEDIXCKVKW-UHFFFAOYSA-N
MW230.13 g/mol
LogP1.53
Rot. Bonds2

About 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane

1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane (PubChem CID 82018244) has the molecular formula C4H4F6O2S and a molecular weight of 230.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane
PubChem CID82018244
Molecular FormulaC4H4F6O2S
Molecular Weight230.13 g/mol
Exact Mass229.98
IUPAC Name1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane
SMILESO=S(=O)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C4H4F6O2S/c5-3(6,7)1-13(11,12)2-4(8,9)10/h1-2H2
InChIKeyHGQHVEDIXCKVKW-UHFFFAOYSA-N
XLogP1.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.13
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18551361
2-(1,1,1,3,3,3-Hexafluoropropan-2-ylsulfonyl)-2-methylpropane
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1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane
CID 132839263
Tetrafluoro-propyl sulfone
CID 87624456
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane
CID 13358484
1,1,1,3,3,3-Hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)propane
CID 13358485
2-Ethylsulfonyl-1,1,1-trifluoroethane
CID 17887963
1,1,1,2,2,3,3-Heptafluoro-4-methylsulfonylbutane
CID 20471430
1,1,1-Trifluoro-2-methylsulfonylethane
CID 20513524
2-(1,1,1,3,3,3-Hexafluoropropan-2-ylsulfonyl)butane
CID 20811120
1-Ethylsulfonyl-1,1,2,2,2-pentafluoroethane
CID 22015919
2-(Trifluoromethanesulfonyl)propane
CID 22953754

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane (CID 82018244) is 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane is O=S(=O)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane?
The InChIKey is HGQHVEDIXCKVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O2S/c5-3(6,7)1-13(11,12)2-4(8,9)10/h1-2H2.
What are the key properties of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane?
1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane has a molecular weight of 230.13 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfonyl)ethane is sourced from PubChem (CID 82018244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).