1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane

C7H7F9O2 — CID 21361121

IUPAC1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane
SMILESFCC(F)(F)C(OCOCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O2/c8-1-5(9,10)4(7(14,15)16)18-3-17-2-6(11,12)13/h4H,1-3H2
InChIKeyGZJZDULHUKFFIF-UHFFFAOYSA-N
MW294.11 g/mol
LogP3.08
Rot. Bonds6

About 1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane

1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane (PubChem CID 21361121) has the molecular formula C7H7F9O2 and a molecular weight of 294.11 g/mol. Its IUPAC name is 1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane.

Molecular Properties

Compound Name1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane
PubChem CID21361121
Molecular FormulaC7H7F9O2
Molecular Weight294.11 g/mol
Exact Mass294.03
IUPAC Name1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane
SMILESFCC(F)(F)C(OCOCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O2/c8-1-5(9,10)4(7(14,15)16)18-3-17-2-6(11,12)13/h4H,1-3H2
InChIKeyGZJZDULHUKFFIF-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane?
The IUPAC name of 1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane (CID 21361121) is 1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane.
What is the SMILES notation for 1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane?
The canonical SMILES for 1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane is FCC(F)(F)C(OCOCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane?
The InChIKey is GZJZDULHUKFFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O2/c8-1-5(9,10)4(7(14,15)16)18-3-17-2-6(11,12)13/h4H,1-3H2.
What are the key properties of 1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane?
1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane has a molecular weight of 294.11 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane is sourced from PubChem (CID 21361121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).