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

C6H5F9O — CID 22436580

IUPAC1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C6H5F9O/c1-16-6(14,15)5(12,13)4(10,11)3(8,9)2-7/h2H2,1H3
InChIKeyAHRPKGAGOTZPQK-UHFFFAOYSA-N
MW264.09 g/mol
LogP3.10
Rot. Bonds5

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

1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane (PubChem CID 22436580) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane
PubChem CID22436580
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C6H5F9O/c1-16-6(14,15)5(12,13)4(10,11)3(8,9)2-7/h2H2,1H3
InChIKeyAHRPKGAGOTZPQK-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 53.10
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 1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane?
The IUPAC name of 1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane (CID 22436580) is 1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane is COC(F)(F)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane?
The InChIKey is AHRPKGAGOTZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c1-16-6(14,15)5(12,13)4(10,11)3(8,9)2-7/h2H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane?
1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane has a molecular weight of 264.09 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5-nonafluoro-1-methoxypentane is sourced from PubChem (CID 22436580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).