1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene

C10H2F12 — CID 619464

IUPAC1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
SMILESFC1=CC2C(C(F)(F)F)=C(C(F)(F)F)C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H2F12/c11-3-1-2-4(8(15,16)17)5(9(18,19)20)6(3,12)10(21,22)7(2,13)14/h1-2H
InChIKeyPZPYKEYHGCTALQ-UHFFFAOYSA-N
MW350.10 g/mol
LogP4.88
Rot. Bonds

About 1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene

1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene (PubChem CID 619464) has the molecular formula C10H2F12 and a molecular weight of 350.10 g/mol. Its IUPAC name is 1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene.

Molecular Properties

Compound Name1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
PubChem CID619464
Molecular FormulaC10H2F12
Molecular Weight350.10 g/mol
Exact Mass350.00
IUPAC Name1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
SMILESFC1=CC2C(C(F)(F)F)=C(C(F)(F)F)C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H2F12/c11-3-1-2-4(8(15,16)17)5(9(18,19)20)6(3,12)10(21,22)7(2,13)14/h1-2H
InChIKeyPZPYKEYHGCTALQ-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.10
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene?
The IUPAC name of 1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene (CID 619464) is 1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene.
What is the SMILES notation for 1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene?
The canonical SMILES for 1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene is FC1=CC2C(C(F)(F)F)=C(C(F)(F)F)C1(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene?
The InChIKey is PZPYKEYHGCTALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F12/c11-3-1-2-4(8(15,16)17)5(9(18,19)20)6(3,12)10(21,22)7(2,13)14/h1-2H.
What are the key properties of 1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene?
1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene has a molecular weight of 350.10 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene is sourced from PubChem (CID 619464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).