2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene

C8H4F6O — CID 13294463

IUPAC2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2C=CC1O2
InChIInChI=1S/C8H4F6O/c9-7(10,11)5-3-1-2-4(15-3)6(5)8(12,13)14/h1-4H
InChIKeyMGVLQGGDEXTVKS-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.74
Rot. Bonds

About 2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene

2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene (PubChem CID 13294463) has the molecular formula C8H4F6O and a molecular weight of 230.11 g/mol. Its IUPAC name is 2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
PubChem CID13294463
Molecular FormulaC8H4F6O
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2C=CC1O2
InChIInChI=1S/C8H4F6O/c9-7(10,11)5-3-1-2-4(15-3)6(5)8(12,13)14/h1-4H
InChIKeyMGVLQGGDEXTVKS-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene (CID 13294463) is 2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene is FC(F)(F)C1=C(C(F)(F)F)C2C=CC1O2.
What is the InChIKey of 2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is MGVLQGGDEXTVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6O/c9-7(10,11)5-3-1-2-4(15-3)6(5)8(12,13)14/h1-4H.
What are the key properties of 2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 230.11 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 13294463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).