2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane

C8H12F6O2 — CID 20826490

IUPAC2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane
SMILESCCOCOC(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-3-6(7(9,10)11,8(12,13)14)16-5-15-4-2/h3-5H2,1-2H3
InChIKeyVEQKCKWEULDNDI-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.27
Rot. Bonds5

About 2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane

2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane (PubChem CID 20826490) has the molecular formula C8H12F6O2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane
PubChem CID20826490
Molecular FormulaC8H12F6O2
Molecular Weight254.17 g/mol
Exact Mass254.07
IUPAC Name2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane
SMILESCCOCOC(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-3-6(7(9,10)11,8(12,13)14)16-5-15-4-2/h3-5H2,1-2H3
InChIKeyVEQKCKWEULDNDI-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.27
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 2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane?
The IUPAC name of 2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane (CID 20826490) is 2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane.
What is the SMILES notation for 2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane?
The canonical SMILES for 2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane is CCOCOC(CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane?
The InChIKey is VEQKCKWEULDNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O2/c1-3-6(7(9,10)11,8(12,13)14)16-5-15-4-2/h3-5H2,1-2H3.
What are the key properties of 2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane?
2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane has a molecular weight of 254.17 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane is sourced from PubChem (CID 20826490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).