1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride

C8H9F13O2 — CID 157147137

IUPAC1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride
SMILESC.F.FC(F)(F)C(OCOC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F12O2.CH4.FH/c8-4(9,10)2(5(11,12)13)20-1-21-3(6(14,15)16)7(17,18)19;;/h2-3H,1H2;1H4;1H
InChIKeyAKVJXBUFGHQSHI-UHFFFAOYSA-N
MW384.13 g/mol
LogP4.75
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride

1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride (PubChem CID 157147137) has the molecular formula C8H9F13O2 and a molecular weight of 384.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride
PubChem CID157147137
Molecular FormulaC8H9F13O2
Molecular Weight384.13 g/mol
Exact Mass384.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride
SMILESC.F.FC(F)(F)C(OCOC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F12O2.CH4.FH/c8-4(9,10)2(5(11,12)13)20-1-21-3(6(14,15)16)7(17,18)19;;/h2-3H,1H2;1H4;1H
InChIKeyAKVJXBUFGHQSHI-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.13
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-yloxymethoxy)propane;methane;hydrofluoride?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride (CID 157147137) is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride is C.F.FC(F)(F)C(OCOC(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-yloxymethoxy)propane;methane;hydrofluoride?
The InChIKey is AKVJXBUFGHQSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O2.CH4.FH/c8-4(9,10)2(5(11,12)13)20-1-21-3(6(14,15)16)7(17,18)19;;/h2-3H,1H2;1H4;1H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride?
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride has a molecular weight of 384.13 g/mol, XLogP of 4.75, 4 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-yloxymethoxy)propane;methane;hydrofluoride is sourced from PubChem (CID 157147137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).