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

C6H2F12O2S — CID 13418963

IUPAC1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane
SMILESFC(F)(F)C(OSOC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O2S/c7-3(8,9)1(4(10,11)12)19-21-20-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyYLIPVHVNYNHXIV-UHFFFAOYSA-N
MW366.12 g/mol
LogP4.57
Rot. Bonds4

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

1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane (PubChem CID 13418963) 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-yloxysulfanyloxy)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane
PubChem CID13418963
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-yloxysulfanyloxy)propane
SMILESFC(F)(F)C(OSOC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O2S/c7-3(8,9)1(4(10,11)12)19-21-20-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyYLIPVHVNYNHXIV-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.12
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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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-yloxysulfanyloxy)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane (CID 13418963) is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane is FC(F)(F)C(OSOC(C(F)(F)F)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-yloxysulfanyloxy)propane?
The InChIKey is YLIPVHVNYNHXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O2S/c7-3(8,9)1(4(10,11)12)19-21-20-2(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-yloxysulfanyloxy)propane?
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane has a molecular weight of 366.12 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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-yloxysulfanyloxy)propane is sourced from PubChem (CID 13418963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).