2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane

C7H10F6O2S — CID 20811120

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane
SMILESCCC(C)S(=O)(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2S/c1-3-4(2)16(14,15)5(6(8,9)10)7(11,12)13/h4-5H,3H2,1-2H3
InChIKeyQCCBEUIKMOKFJJ-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.69
Rot. Bonds3

About 2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane

2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane (PubChem CID 20811120) has the molecular formula C7H10F6O2S and a molecular weight of 272.21 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane
PubChem CID20811120
Molecular FormulaC7H10F6O2S
Molecular Weight272.21 g/mol
Exact Mass272.03
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane
SMILESCCC(C)S(=O)(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2S/c1-3-4(2)16(14,15)5(6(8,9)10)7(11,12)13/h4-5H,3H2,1-2H3
InChIKeyQCCBEUIKMOKFJJ-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane (CID 20811120) is 2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane is CCC(C)S(=O)(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane?
The InChIKey is QCCBEUIKMOKFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2S/c1-3-4(2)16(14,15)5(6(8,9)10)7(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane?
2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane has a molecular weight of 272.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)butane is sourced from PubChem (CID 20811120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).