4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane

C7H8F6O — CID 58114535

IUPAC4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane
SMILESCCOC1(F)CC(F)(F)C(F)(F)C1F
InChIInChI=1S/C7H8F6O/c1-2-14-5(9)3-6(10,11)7(12,13)4(5)8/h4H,2-3H2,1H3
InChIKeyLJIBIQQITLRHAG-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.70
Rot. Bonds2

About 4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane

4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane (PubChem CID 58114535) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is 4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane.

Molecular Properties

Compound Name4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane
PubChem CID58114535
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Name4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane
SMILESCCOC1(F)CC(F)(F)C(F)(F)C1F
InChIInChI=1S/C7H8F6O/c1-2-14-5(9)3-6(10,11)7(12,13)4(5)8/h4H,2-3H2,1H3
InChIKeyLJIBIQQITLRHAG-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.70
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 4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane?
The IUPAC name of 4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane (CID 58114535) is 4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane.
What is the SMILES notation for 4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane?
The canonical SMILES for 4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane is CCOC1(F)CC(F)(F)C(F)(F)C1F.
What is the InChIKey of 4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane?
The InChIKey is LJIBIQQITLRHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O/c1-2-14-5(9)3-6(10,11)7(12,13)4(5)8/h4H,2-3H2,1H3.
What are the key properties of 4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane?
4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane has a molecular weight of 222.13 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,1,2,2,3,4-hexafluorocyclopentane is sourced from PubChem (CID 58114535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).