1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane

C6H2F12O2S — CID 13358484

IUPAC1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane
SMILESO=S(=O)(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O2S/c7-3(8,9)1(4(10,11)12)21(19,20)2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyCUFWHDFUGSYXOW-UHFFFAOYSA-N
MW366.12 g/mol
LogP3.39
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane

1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane (PubChem CID 13358484) has the molecular formula C6H2F12O2S and a molecular weight of 366.12 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane
PubChem CID13358484
Molecular FormulaC6H2F12O2S
Molecular Weight366.12 g/mol
Exact Mass365.96
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane
SMILESO=S(=O)(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O2S/c7-3(8,9)1(4(10,11)12)21(19,20)2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyCUFWHDFUGSYXOW-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.12
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane (CID 13358484) is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane is O=S(=O)(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane?
The InChIKey is CUFWHDFUGSYXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O2S/c7-3(8,9)1(4(10,11)12)21(19,20)2(5(13,14)15)6(16,17)18/h1-2H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane?
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane has a molecular weight of 366.12 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)propane is sourced from PubChem (CID 13358484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).