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

C11H12F8O — CID 13451016

IUPAC2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane
SMILESFC1C(F)(F)C(F)(F)C(F)(F)C1(F)C1CCCCCO1
InChIInChI=1S/C11H12F8O/c12-7-8(13,6-4-2-1-3-5-20-6)10(16,17)11(18,19)9(7,14)15/h6-7H,1-5H2
InChIKeyAKOUADMLVGUYMZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.91
Rot. Bonds1

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

2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane (PubChem CID 13451016) has the molecular formula C11H12F8O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane.

Molecular Properties

Compound Name2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane
PubChem CID13451016
Molecular FormulaC11H12F8O
Molecular Weight312.20 g/mol
Exact Mass312.08
IUPAC Name2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane
SMILESFC1C(F)(F)C(F)(F)C(F)(F)C1(F)C1CCCCCO1
InChIInChI=1S/C11H12F8O/c12-7-8(13,6-4-2-1-3-5-20-6)10(16,17)11(18,19)9(7,14)15/h6-7H,1-5H2
InChIKeyAKOUADMLVGUYMZ-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.91
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

2-(1,2,2,3,3,4,4,5-Octafluorocyclopentyl)oxolane
CID 13451002
2-(1,2,2,3,3,4,4,5-Octafluorocyclopentyl)oxane
CID 13451009
1-Ethyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)cyclopentane
CID 173379739
1-Ethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)cyclopentane
CID 173379753
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctoxy)ethylcyclopentane
CID 173694574
4,4,5,5-Tetrafluoro-3,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,7-dimethyloxepane
CID 11156290

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane?
The IUPAC name of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane (CID 13451016) is 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane.
What is the SMILES notation for 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane?
The canonical SMILES for 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane is FC1C(F)(F)C(F)(F)C(F)(F)C1(F)C1CCCCCO1.
What is the InChIKey of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane?
The InChIKey is AKOUADMLVGUYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F8O/c12-7-8(13,6-4-2-1-3-5-20-6)10(16,17)11(18,19)9(7,14)15/h6-7H,1-5H2.
What are the key properties of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane?
2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane has a molecular weight of 312.20 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxepane is sourced from PubChem (CID 13451016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).