2,3-bis(2,2,2-trifluoroethylsulfonyl)butane

C8H12F6O4S2 — CID 158437454

IUPAC2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
SMILESCC(C(C)S(=O)(=O)CC(F)(F)F)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C8H12F6O4S2/c1-5(19(15,16)3-7(9,10)11)6(2)20(17,18)4-8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyHCKFZZNEKIWNCV-UHFFFAOYSA-N
MW350.30 g/mol
LogP1.72
Rot. Bonds5

About 2,3-bis(2,2,2-trifluoroethylsulfonyl)butane

2,3-bis(2,2,2-trifluoroethylsulfonyl)butane (PubChem CID 158437454) has the molecular formula C8H12F6O4S2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2,3-bis(2,2,2-trifluoroethylsulfonyl)butane.

Molecular Properties

Compound Name2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
PubChem CID158437454
Molecular FormulaC8H12F6O4S2
Molecular Weight350.30 g/mol
Exact Mass350.01
IUPAC Name2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
SMILESCC(C(C)S(=O)(=O)CC(F)(F)F)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C8H12F6O4S2/c1-5(19(15,16)3-7(9,10)11)6(2)20(17,18)4-8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyHCKFZZNEKIWNCV-UHFFFAOYSA-N
XLogP1.72
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 151114367
1-[bis(2,2,2-trifluoroethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene
CID 59584288
2,2,2-trifluoroethanesulfonyl fluoride
CID 12929868
methyl(2,2,2-trifluoroethylsulfonyl)azanide
CID 59280663
2,2,2-trifluoroethanesulfonyl iodide
CID 147408811
2,2,2-trifluoroethanesulfonic acid;hydrochloride
CID 88652100
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane
CID 87154616
2-bromo-1,1,1-trifluoro-3-propan-2-ylsulfonylpropane
CID 64757911
1-(2,2,2-trifluoroethylsulfonyl)butane
CID 13096090
ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid
CID 162214808
(2S)-2-amino-5,5,5-trifluoro-4-methyl-N-methylsulfonylpentanamide
CID 129061059

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,2,2-trifluoroethylsulfonyl)butane?
The IUPAC name of 2,3-bis(2,2,2-trifluoroethylsulfonyl)butane (CID 158437454) is 2,3-bis(2,2,2-trifluoroethylsulfonyl)butane.
What is the SMILES notation for 2,3-bis(2,2,2-trifluoroethylsulfonyl)butane?
The canonical SMILES for 2,3-bis(2,2,2-trifluoroethylsulfonyl)butane is CC(C(C)S(=O)(=O)CC(F)(F)F)S(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2,3-bis(2,2,2-trifluoroethylsulfonyl)butane?
The InChIKey is HCKFZZNEKIWNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O4S2/c1-5(19(15,16)3-7(9,10)11)6(2)20(17,18)4-8(12,13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,3-bis(2,2,2-trifluoroethylsulfonyl)butane?
2,3-bis(2,2,2-trifluoroethylsulfonyl)butane has a molecular weight of 350.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,2,2-trifluoroethylsulfonyl)butane is sourced from PubChem (CID 158437454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).