2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene

C10H2F12O — CID 15259501

IUPAC2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2OC1C(C(F)(F)F)=C2C(F)(F)F
InChIInChI=1S/C10H2F12O/c11-7(12,13)1-2(8(14,15)16)6-4(10(20,21)22)3(5(1)23-6)9(17,18)19/h5-6H
InChIKeyLCAOFCHOHNAXHS-UHFFFAOYSA-N
MW366.10 g/mol
LogP4.61
Rot. Bonds

About 2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene

2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene (PubChem CID 15259501) has the molecular formula C10H2F12O and a molecular weight of 366.10 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
PubChem CID15259501
Molecular FormulaC10H2F12O
Molecular Weight366.10 g/mol
Exact Mass365.99
IUPAC Name2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2OC1C(C(F)(F)F)=C2C(F)(F)F
InChIInChI=1S/C10H2F12O/c11-7(12,13)1-2(8(14,15)16)6-4(10(20,21)22)3(5(1)23-6)9(17,18)19/h5-6H
InChIKeyLCAOFCHOHNAXHS-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 54.61
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 2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene (CID 15259501) is 2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene is FC(F)(F)C1=C(C(F)(F)F)C2OC1C(C(F)(F)F)=C2C(F)(F)F.
What is the InChIKey of 2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is LCAOFCHOHNAXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F12O/c11-7(12,13)1-2(8(14,15)16)6-4(10(20,21)22)3(5(1)23-6)9(17,18)19/h5-6H.
What are the key properties of 2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 366.10 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 15259501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).