2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane

C10H12F8O — CID 161268792

IUPAC2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane
SMILESFC1(F)CCCCCCC(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C10H12F8O/c11-7(12)5-3-1-2-4-6-8(13,14)10(17,18)19-9(7,15)16/h1-6H2
InChIKeyVDNPETCDBCMPQT-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.81
Rot. Bonds

About 2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane

2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane (PubChem CID 161268792) has the molecular formula C10H12F8O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane.

Molecular Properties

Compound Name2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane
PubChem CID161268792
Molecular FormulaC10H12F8O
Molecular Weight300.19 g/mol
Exact Mass300.08
IUPAC Name2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane
SMILESFC1(F)CCCCCCC(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C10H12F8O/c11-7(12)5-3-1-2-4-6-8(13,14)10(17,18)19-9(7,15)16/h1-6H2
InChIKeyVDNPETCDBCMPQT-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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cobalt;1,1-difluorocyclopropane
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7,8-dioxatricyclo[4.1.1.01,6]octane
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2,2,4,4,5,5,7,7,8,8,10,10,11,11,13,13,14,14,16,16,17,17,19,19,20,20-hexacosafluoro-1,3,6,9,12,15,18-heptaoxacycloicosane
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane?
The IUPAC name of 2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane (CID 161268792) is 2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane.
What is the SMILES notation for 2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane?
The canonical SMILES for 2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane is FC1(F)CCCCCCC(F)(F)C(F)(F)OC1(F)F.
What is the InChIKey of 2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane?
The InChIKey is VDNPETCDBCMPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8O/c11-7(12)5-3-1-2-4-6-8(13,14)10(17,18)19-9(7,15)16/h1-6H2.
What are the key properties of 2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane?
2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane has a molecular weight of 300.19 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,10,10,11,11-octafluoro-oxacycloundecane is sourced from PubChem (CID 161268792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).