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

C9H14F6O3 — CID 20826465

IUPAC1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane
SMILESCCC(OCOCCOC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O3/c1-3-7(8(10,11)12,9(13,14)15)18-6-17-5-4-16-2/h3-6H2,1-2H3
InChIKeyHIFZBFGGJUPSAI-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.90
Rot. Bonds7

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

1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane (PubChem CID 20826465) has the molecular formula C9H14F6O3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane
PubChem CID20826465
Molecular FormulaC9H14F6O3
Molecular Weight284.20 g/mol
Exact Mass284.08
IUPAC Name1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane
SMILESCCC(OCOCCOC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O3/c1-3-7(8(10,11)12,9(13,14)15)18-6-17-5-4-16-2/h3-6H2,1-2H3
InChIKeyHIFZBFGGJUPSAI-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane (CID 20826465) is 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane is CCC(OCOCCOC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane?
The InChIKey is HIFZBFGGJUPSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O3/c1-3-7(8(10,11)12,9(13,14)15)18-6-17-5-4-16-2/h3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane?
1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane has a molecular weight of 284.20 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)butane is sourced from PubChem (CID 20826465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).