1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane

C7H6F8O — CID 58731935

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane
SMILESCOC1(C)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H6F8O/c1-3(16-2)4(8,9)6(12,13)7(14,15)5(3,10)11/h1-2H3
InChIKeyFEOBXOCREKEPQP-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.95
Rot. Bonds1

About 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane

1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane (PubChem CID 58731935) has the molecular formula C7H6F8O and a molecular weight of 258.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane
PubChem CID58731935
Molecular FormulaC7H6F8O
Molecular Weight258.11 g/mol
Exact Mass258.03
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane
SMILESCOC1(C)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H6F8O/c1-3(16-2)4(8,9)6(12,13)7(14,15)5(3,10)11/h1-2H3
InChIKeyFEOBXOCREKEPQP-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.95
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-octafluoro-5-methoxy-5-methylcyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane (CID 58731935) is 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane is COC1(C)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane?
The InChIKey is FEOBXOCREKEPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O/c1-3(16-2)4(8,9)6(12,13)7(14,15)5(3,10)11/h1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane?
1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-methylcyclopentane has a molecular weight of 258.11 g/mol, XLogP of 2.95, 1 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-octafluoro-5-methoxy-5-methylcyclopentane is sourced from PubChem (CID 58731935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).