1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane

C7H6F10O2 — CID 21361122

IUPAC1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane
SMILESFC(OCOC(CC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10O2/c8-4(7(15,16)17)19-2-18-3(6(12,13)14)1-5(9,10)11/h3-4H,1-2H2
InChIKeyGDXLZLMOWACTAO-UHFFFAOYSA-N
MW312.10 g/mol
LogP3.72
Rot. Bonds5

About 1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane

1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane (PubChem CID 21361122) has the molecular formula C7H6F10O2 and a molecular weight of 312.10 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane
PubChem CID21361122
Molecular FormulaC7H6F10O2
Molecular Weight312.10 g/mol
Exact Mass312.02
IUPAC Name1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane
SMILESFC(OCOC(CC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10O2/c8-4(7(15,16)17)19-2-18-3(6(12,13)14)1-5(9,10)11/h3-4H,1-2H2
InChIKeyGDXLZLMOWACTAO-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 53.72
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 1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane (CID 21361122) is 1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane is FC(OCOC(CC(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane?
The InChIKey is GDXLZLMOWACTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O2/c8-4(7(15,16)17)19-2-18-3(6(12,13)14)1-5(9,10)11/h3-4H,1-2H2.
What are the key properties of 1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane?
1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane has a molecular weight of 312.10 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane is sourced from PubChem (CID 21361122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).