2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane

C11H16F6O3 — CID 88562007

IUPAC2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane
SMILESCCC(C)OC(COC)C1(F)OC(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H16F6O3/c1-4-6(2)19-7(5-18-3)10(15)11(16,17)9(13,14)8(12)20-10/h6-8H,4-5H2,1-3H3
InChIKeyVOXGRTHXNZNBTF-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.08
Rot. Bonds6

About 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane

2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane (PubChem CID 88562007) has the molecular formula C11H16F6O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane.

Molecular Properties

Compound Name2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane
PubChem CID88562007
Molecular FormulaC11H16F6O3
Molecular Weight310.23 g/mol
Exact Mass310.10
IUPAC Name2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane
SMILESCCC(C)OC(COC)C1(F)OC(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H16F6O3/c1-4-6(2)19-7(5-18-3)10(15)11(16,17)9(13,14)8(12)20-10/h6-8H,4-5H2,1-3H3
InChIKeyVOXGRTHXNZNBTF-UHFFFAOYSA-N
XLogP3.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane with MolForge

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Related Compounds

2-(2-Butan-2-yloxyethoxymethyl)-2,3,3,4,4,5-hexafluorooxolane
CID 57689085
(2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 58062016
(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 58209642
(2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane
CID 58498310
(2S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 58566890
(2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 59475268
2-[3,3-Difluoro-3-(trifluoromethoxy)propyl]-3,5,6-trimethyl-1,4-dioxane
CID 59741560
(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 60040892
(2R,3S,5S)-3-fluoro-4-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 60040893
(2R,4R,5S)-3-fluoro-4-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 66793434
(2S,4S,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 67126262
1-(4,4-Difluorohexoxy)-2-ethoxycyclopentane
CID 70794073

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane?
The IUPAC name of 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane (CID 88562007) is 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane.
What is the SMILES notation for 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane?
The canonical SMILES for 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane is CCC(C)OC(COC)C1(F)OC(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane?
The InChIKey is VOXGRTHXNZNBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O3/c1-4-6(2)19-7(5-18-3)10(15)11(16,17)9(13,14)8(12)20-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane?
2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane has a molecular weight of 310.23 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane is sourced from PubChem (CID 88562007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).