2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene

C8F8 — CID 13280397

IUPAC2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C2(F)F
InChIInChI=1S/C8F8/c9-3-1-2(4(10)6(12)5(3)11)8(15,16)7(1,13)14
InChIKeyNUIUUMOACKMRNW-UHFFFAOYSA-N
MW248.07 g/mol
LogP3.44
Rot. Bonds

About 2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene

2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 13280397) has the molecular formula C8F8 and a molecular weight of 248.07 g/mol. Its IUPAC name is 2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID13280397
Molecular FormulaC8F8
Molecular Weight248.07 g/mol
Exact Mass247.99
IUPAC Name2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C2(F)F
InChIInChI=1S/C8F8/c9-3-1-2(4(10)6(12)5(3)11)8(15,16)7(1,13)14
InChIKeyNUIUUMOACKMRNW-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene (CID 13280397) is 2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C2(F)F.
What is the InChIKey of 2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is NUIUUMOACKMRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F8/c9-3-1-2(4(10)6(12)5(3)11)8(15,16)7(1,13)14.
What are the key properties of 2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene?
2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 248.07 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,7,7,8,8-octafluorobicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 13280397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).