1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane

C6H6F8O — CID 14533039

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane
SMILESCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H6F8O/c1-15-2-4(9,10)6(13,14)5(11,12)3(7)8/h3H,2H2,1H3
InChIKeyOHYJUFNURZXEOG-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.80
Rot. Bonds5

About 1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane

1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane (PubChem CID 14533039) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane
PubChem CID14533039
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane
SMILESCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H6F8O/c1-15-2-4(9,10)6(13,14)5(11,12)3(7)8/h3H,2H2,1H3
InChIKeyOHYJUFNURZXEOG-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.80
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-methoxypentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane (CID 14533039) is 1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane is 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-methoxypentane?
The InChIKey is OHYJUFNURZXEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c1-15-2-4(9,10)6(13,14)5(11,12)3(7)8/h3H,2H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane?
1,1,2,2,3,3,4,4-octafluoro-5-methoxypentane has a molecular weight of 246.10 g/mol, XLogP of 2.80, 5 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-methoxypentane is sourced from PubChem (CID 14533039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).