2-(2,2,2-trifluoroethylsulfonyl)butane

C6H11F3O2S — CID 20811122

IUPAC2-(2,2,2-trifluoroethylsulfonyl)butane
SMILESCCC(C)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C6H11F3O2S/c1-3-5(2)12(10,11)4-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyLHKQZCWTENJHSG-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.76
Rot. Bonds3

About 2-(2,2,2-trifluoroethylsulfonyl)butane

2-(2,2,2-trifluoroethylsulfonyl)butane (PubChem CID 20811122) has the molecular formula C6H11F3O2S and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfonyl)butane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfonyl)butane
PubChem CID20811122
Molecular FormulaC6H11F3O2S
Molecular Weight204.21 g/mol
Exact Mass204.04
IUPAC Name2-(2,2,2-trifluoroethylsulfonyl)butane
SMILESCCC(C)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C6H11F3O2S/c1-3-5(2)12(10,11)4-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyLHKQZCWTENJHSG-UHFFFAOYSA-N
XLogP1.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfonyl)butane?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfonyl)butane (CID 20811122) is 2-(2,2,2-trifluoroethylsulfonyl)butane.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfonyl)butane?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfonyl)butane is CCC(C)S(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfonyl)butane?
The InChIKey is LHKQZCWTENJHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2S/c1-3-5(2)12(10,11)4-6(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2-(2,2,2-trifluoroethylsulfonyl)butane?
2-(2,2,2-trifluoroethylsulfonyl)butane has a molecular weight of 204.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfonyl)butane is sourced from PubChem (CID 20811122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).