1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane

C10H16F6O2 — CID 118217389

IUPAC1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane
SMILESCOCCOC(C(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-7(2,3)8(9(11,12)13,10(14,15)16)18-6-5-17-4/h5-6H2,1-4H3
InChIKeyAAISBWRGQAXDSS-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.56
Rot. Bonds4

About 1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane

1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane (PubChem CID 118217389) has the molecular formula C10H16F6O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane
PubChem CID118217389
Molecular FormulaC10H16F6O2
Molecular Weight282.22 g/mol
Exact Mass282.11
IUPAC Name1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane
SMILESCOCCOC(C(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-7(2,3)8(9(11,12)13,10(14,15)16)18-6-5-17-4/h5-6H2,1-4H3
InChIKeyAAISBWRGQAXDSS-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane (CID 118217389) is 1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane is COCCOC(C(C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane?
The InChIKey is AAISBWRGQAXDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O2/c1-7(2,3)8(9(11,12)13,10(14,15)16)18-6-5-17-4/h5-6H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane?
1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane has a molecular weight of 282.22 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-methoxyethoxy)-3,3-dimethyl-2-(trifluoromethyl)butane is sourced from PubChem (CID 118217389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).