2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane

C9H8F8O2 — CID 13451011

IUPAC2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane
SMILESFC1C(F)(F)C(F)(F)C(F)(F)C1(F)C1COCCO1
InChIInChI=1S/C9H8F8O2/c10-5-6(11,4-3-18-1-2-19-4)8(14,15)9(16,17)7(5,12)13/h4-5H,1-3H2
InChIKeyOIXQANJDGZEQMU-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.37
Rot. Bonds1

About 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane

2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane (PubChem CID 13451011) has the molecular formula C9H8F8O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane
PubChem CID13451011
Molecular FormulaC9H8F8O2
Molecular Weight300.15 g/mol
Exact Mass300.04
IUPAC Name2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane
SMILESFC1C(F)(F)C(F)(F)C(F)(F)C1(F)C1COCCO1
InChIInChI=1S/C9H8F8O2/c10-5-6(11,4-3-18-1-2-19-4)8(14,15)9(16,17)7(5,12)13/h4-5H,1-3H2
InChIKeyOIXQANJDGZEQMU-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
ethane;(2R)-2-methyl-1,4-dioxane
CID 145396958
ethane;2-methyl-1,4-dioxane
CID 91216849
1,1,2,2,3,3-hexafluorocyclobutane;1,1,2,2,3,3,4,4,5-nonafluorocyclopentane
CID 160699918
(2S)-N-methyl-1,4-dioxan-2-amine
CID 161070139
2-[(Z)-1,2-difluoroethenyl]-1,4-dioxane
CID 23261789
1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742
ethane;2-ethyl-1,4-dioxane
CID 170734415
2-(1-benzylcyclohexyl)-1,4-dioxane
CID 67727429
2,3,3-trifluorooxolane
CID 142163643
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
(2-methyloxirane);oxirane
CID 173423277

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane?
The IUPAC name of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane (CID 13451011) is 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane.
What is the SMILES notation for 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane?
The canonical SMILES for 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane is FC1C(F)(F)C(F)(F)C(F)(F)C1(F)C1COCCO1.
What is the InChIKey of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane?
The InChIKey is OIXQANJDGZEQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F8O2/c10-5-6(11,4-3-18-1-2-19-4)8(14,15)9(16,17)7(5,12)13/h4-5H,1-3H2.
What are the key properties of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane?
2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane has a molecular weight of 300.15 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)-1,4-dioxane is sourced from PubChem (CID 13451011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).