1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane

C9H12F8O — CID 14595650

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane
SMILESCC(C)COCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H12F8O/c1-5(2)3-18-4-7(12,13)9(16,17)8(14,15)6(10)11/h5-6H,3-4H2,1-2H3
InChIKeyCWNYUSDMWVNMKX-UHFFFAOYSA-N
MW288.18 g/mol
LogP3.83
Rot. Bonds7

About 1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane

1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane (PubChem CID 14595650) has the molecular formula C9H12F8O and a molecular weight of 288.18 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane
PubChem CID14595650
Molecular FormulaC9H12F8O
Molecular Weight288.18 g/mol
Exact Mass288.08
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane
SMILESCC(C)COCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H12F8O/c1-5(2)3-18-4-7(12,13)9(16,17)8(14,15)6(10)11/h5-6H,3-4H2,1-2H3
InChIKeyCWNYUSDMWVNMKX-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 53.83
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 1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane (CID 14595650) is 1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane is CC(C)COCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane?
The InChIKey is CWNYUSDMWVNMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8O/c1-5(2)3-18-4-7(12,13)9(16,17)8(14,15)6(10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane?
1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane has a molecular weight of 288.18 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5-(2-methylpropoxy)pentane is sourced from PubChem (CID 14595650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).