2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane

C11H15F9O2 — CID 58820910

IUPAC2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane
SMILESCC(C)(C)OC(OC(C)(F)C(C)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F9O2/c1-6(2,3)21-9(10(15,16)17,11(18,19)20)22-8(5,14)7(4,12)13/h1-5H3
InChIKeyHSJYDINPCMVUIE-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.98
Rot. Bonds4

About 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane

2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane (PubChem CID 58820910) has the molecular formula C11H15F9O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane
PubChem CID58820910
Molecular FormulaC11H15F9O2
Molecular Weight350.22 g/mol
Exact Mass350.09
IUPAC Name2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane
SMILESCC(C)(C)OC(OC(C)(F)C(C)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F9O2/c1-6(2,3)21-9(10(15,16)17,11(18,19)20)22-8(5,14)7(4,12)13/h1-5H3
InChIKeyHSJYDINPCMVUIE-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane?
The IUPAC name of 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane (CID 58820910) is 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane.
What is the SMILES notation for 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane?
The canonical SMILES for 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane is CC(C)(C)OC(OC(C)(F)C(C)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane?
The InChIKey is HSJYDINPCMVUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F9O2/c1-6(2,3)21-9(10(15,16)17,11(18,19)20)22-8(5,14)7(4,12)13/h1-5H3.
What are the key properties of 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane?
2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane has a molecular weight of 350.22 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxybutane is sourced from PubChem (CID 58820910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).