2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

C8F8O — CID 87246933

IUPAC2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESFc1c(F)c2c(c(C(F)(F)C(F)(F)F)c1F)O2
InChIInChI=1S/C8F8O/c9-2-1(7(12,13)8(14,15)16)5-6(17-5)4(11)3(2)10
InChIKeyPAIYDODTULLBNK-UHFFFAOYSA-N
MW264.07 g/mol
LogP3.86
Rot. Bonds1

About 2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene

2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene (PubChem CID 87246933) has the molecular formula C8F8O and a molecular weight of 264.07 g/mol. Its IUPAC name is 2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene.

Molecular Properties

Compound Name2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
PubChem CID87246933
Molecular FormulaC8F8O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESFc1c(F)c2c(c(C(F)(F)C(F)(F)F)c1F)O2
InChIInChI=1S/C8F8O/c9-2-1(7(12,13)8(14,15)16)5-6(17-5)4(11)3(2)10
InChIKeyPAIYDODTULLBNK-UHFFFAOYSA-N
XLogP3.86
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The IUPAC name of 2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene (CID 87246933) is 2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene.
What is the SMILES notation for 2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The canonical SMILES for 2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene is Fc1c(F)c2c(c(C(F)(F)C(F)(F)F)c1F)O2.
What is the InChIKey of 2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The InChIKey is PAIYDODTULLBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F8O/c9-2-1(7(12,13)8(14,15)16)5-6(17-5)4(11)3(2)10.
What are the key properties of 2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene has a molecular weight of 264.07 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene is sourced from PubChem (CID 87246933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).