1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane

C10H20F2O3 — CID 88988205

IUPAC1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane
SMILESCCC(C)OCCC(C)(C)OOC(F)F
InChIInChI=1S/C10H20F2O3/c1-5-8(2)13-7-6-10(3,4)15-14-9(11)12/h8-9H,5-7H2,1-4H3
InChIKeyWIXFHEBGLIAZCF-UHFFFAOYSA-N
MW226.26 g/mol
LogP3.14
Rot. Bonds8

About 1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane

1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane (PubChem CID 88988205) has the molecular formula C10H20F2O3 and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane.

Molecular Properties

Compound Name1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane
PubChem CID88988205
Molecular FormulaC10H20F2O3
Molecular Weight226.26 g/mol
Exact Mass226.14
IUPAC Name1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane
SMILESCCC(C)OCCC(C)(C)OOC(F)F
InChIInChI=1S/C10H20F2O3/c1-5-8(2)13-7-6-10(3,4)15-14-9(11)12/h8-9H,5-7H2,1-4H3
InChIKeyWIXFHEBGLIAZCF-UHFFFAOYSA-N
XLogP3.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane?
The IUPAC name of 1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane (CID 88988205) is 1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane.
What is the SMILES notation for 1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane?
The canonical SMILES for 1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane is CCC(C)OCCC(C)(C)OOC(F)F.
What is the InChIKey of 1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane?
The InChIKey is WIXFHEBGLIAZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O3/c1-5-8(2)13-7-6-10(3,4)15-14-9(11)12/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane?
1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane has a molecular weight of 226.26 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane is sourced from PubChem (CID 88988205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).