1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane

C9H12F8O — CID 141085282

IUPAC1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)(C)OC(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C9H12F8O/c1-6(2,3)18-9(16,17)8(14,15)5(10)4-7(11,12)13/h5H,4H2,1-3H3
InChIKeyNHCFQAYDTLKOFU-UHFFFAOYSA-N
MW288.18 g/mol
LogP4.32
Rot. Bonds4

About 1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane

1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 141085282) has the molecular formula C9H12F8O and a molecular weight of 288.18 g/mol. Its IUPAC name is 1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID141085282
Molecular FormulaC9H12F8O
Molecular Weight288.18 g/mol
Exact Mass288.08
IUPAC Name1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)(C)OC(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C9H12F8O/c1-6(2,3)18-9(16,17)8(14,15)5(10)4-7(11,12)13/h5H,4H2,1-3H3
InChIKeyNHCFQAYDTLKOFU-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane (CID 141085282) is 1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane is CC(C)(C)OC(F)(F)C(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is NHCFQAYDTLKOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8O/c1-6(2,3)18-9(16,17)8(14,15)5(10)4-7(11,12)13/h5H,4H2,1-3H3.
What are the key properties of 1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane?
1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 288.18 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 141085282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).