1,3-bis(trifluoromethylsulfonyl)propane

C5H6F6O4S2 — CID 15461218

IUPAC1,3-bis(trifluoromethylsulfonyl)propane
SMILESO=S(=O)(CCCS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O4S2/c6-4(7,8)16(12,13)2-1-3-17(14,15)5(9,10)11/h1-3H2
InChIKeyXSXYNHDIEYVYBD-UHFFFAOYSA-N
MW308.22 g/mol
LogP1.25
Rot. Bonds4

About 1,3-bis(trifluoromethylsulfonyl)propane

1,3-bis(trifluoromethylsulfonyl)propane (PubChem CID 15461218) has the molecular formula C5H6F6O4S2 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1,3-bis(trifluoromethylsulfonyl)propane.

Molecular Properties

Compound Name1,3-bis(trifluoromethylsulfonyl)propane
PubChem CID15461218
Molecular FormulaC5H6F6O4S2
Molecular Weight308.22 g/mol
Exact Mass307.96
IUPAC Name1,3-bis(trifluoromethylsulfonyl)propane
SMILESO=S(=O)(CCCS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O4S2/c6-4(7,8)16(12,13)2-1-3-17(14,15)5(9,10)11/h1-3H2
InChIKeyXSXYNHDIEYVYBD-UHFFFAOYSA-N
XLogP1.25
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trifluoromethylsulfonyl)propane?
The IUPAC name of 1,3-bis(trifluoromethylsulfonyl)propane (CID 15461218) is 1,3-bis(trifluoromethylsulfonyl)propane.
What is the SMILES notation for 1,3-bis(trifluoromethylsulfonyl)propane?
The canonical SMILES for 1,3-bis(trifluoromethylsulfonyl)propane is O=S(=O)(CCCS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3-bis(trifluoromethylsulfonyl)propane?
The InChIKey is XSXYNHDIEYVYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O4S2/c6-4(7,8)16(12,13)2-1-3-17(14,15)5(9,10)11/h1-3H2.
What are the key properties of 1,3-bis(trifluoromethylsulfonyl)propane?
1,3-bis(trifluoromethylsulfonyl)propane has a molecular weight of 308.22 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethylsulfonyl)propane is sourced from PubChem (CID 15461218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).