2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane

C9F16O — CID 550260

IUPAC2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane
SMILESFC1(F)OC2(C(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C9F16O/c10-2(11)1(4(14,15)8(22,23)9(24,25)26-1)3(12,13)6(18,19)7(20,21)5(2,16)17
InChIKeyOMRIWMMOXMOKGK-UHFFFAOYSA-N
MW428.07 g/mol
LogP4.81
Rot. Bonds

About 2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane

2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane (PubChem CID 550260) has the molecular formula C9F16O and a molecular weight of 428.07 g/mol. Its IUPAC name is 2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane
PubChem CID550260
Molecular FormulaC9F16O
Molecular Weight428.07 g/mol
Exact Mass427.97
IUPAC Name2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane
SMILESFC1(F)OC2(C(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C9F16O/c10-2(11)1(4(14,15)8(22,23)9(24,25)26-1)3(12,13)6(18,19)7(20,21)5(2,16)17
InChIKeyOMRIWMMOXMOKGK-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.07
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane?
The IUPAC name of 2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane (CID 550260) is 2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane?
The canonical SMILES for 2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane is FC1(F)OC2(C(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane?
The InChIKey is OMRIWMMOXMOKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F16O/c10-2(11)1(4(14,15)8(22,23)9(24,25)26-1)3(12,13)6(18,19)7(20,21)5(2,16)17.
What are the key properties of 2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane?
2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane has a molecular weight of 428.07 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 2,2,3,3,4,4,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-oxaspiro[4.5]decane is sourced from PubChem (CID 550260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).