1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane

C11H18F6O — CID 123587531

IUPAC1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)(C)OC(F)(C(F)(F)F)C(F)(F)C(C)(C)C
InChIInChI=1S/C11H18F6O/c1-7(2,3)9(12,13)10(14,11(15,16)17)18-8(4,5)6/h1-6H3
InChIKeyJCZOGLRALMXHRZ-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.71
Rot. Bonds2

About 1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane

1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 123587531) has the molecular formula C11H18F6O and a molecular weight of 280.25 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID123587531
Molecular FormulaC11H18F6O
Molecular Weight280.25 g/mol
Exact Mass280.13
IUPAC Name1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)(C)OC(F)(C(F)(F)F)C(F)(F)C(C)(C)C
InChIInChI=1S/C11H18F6O/c1-7(2,3)9(12,13)10(14,11(15,16)17)18-8(4,5)6/h1-6H3
InChIKeyJCZOGLRALMXHRZ-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane (CID 123587531) is 1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane is CC(C)(C)OC(F)(C(F)(F)F)C(F)(F)C(C)(C)C.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is JCZOGLRALMXHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6O/c1-7(2,3)9(12,13)10(14,11(15,16)17)18-8(4,5)6/h1-6H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane?
1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 280.25 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 123587531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).