2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene

C10H4Cl2F8 — CID 23234781

IUPAC2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene
SMILESFC1=C(F)C2(F)C(CCl)=C(CCl)C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H4Cl2F8/c11-1-3-4(2-12)8(16)6(14)5(13)7(3,15)9(17,18)10(8,19)20/h1-2H2
InChIKeyOGYOYCNLUJQPNB-UHFFFAOYSA-N
MW347.03 g/mol
LogP4.63
Rot. Bonds2

About 2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene

2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene (PubChem CID 23234781) has the molecular formula C10H4Cl2F8 and a molecular weight of 347.03 g/mol. Its IUPAC name is 2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene.

Molecular Properties

Compound Name2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene
PubChem CID23234781
Molecular FormulaC10H4Cl2F8
Molecular Weight347.03 g/mol
Exact Mass345.96
IUPAC Name2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene
SMILESFC1=C(F)C2(F)C(CCl)=C(CCl)C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H4Cl2F8/c11-1-3-4(2-12)8(16)6(14)5(13)7(3,15)9(17,18)10(8,19)20/h1-2H2
InChIKeyOGYOYCNLUJQPNB-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.03
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene?
The IUPAC name of 2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene (CID 23234781) is 2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene.
What is the SMILES notation for 2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene?
The canonical SMILES for 2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene is FC1=C(F)C2(F)C(CCl)=C(CCl)C1(F)C(F)(F)C2(F)F.
What is the InChIKey of 2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene?
The InChIKey is OGYOYCNLUJQPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F8/c11-1-3-4(2-12)8(16)6(14)5(13)7(3,15)9(17,18)10(8,19)20/h1-2H2.
What are the key properties of 2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene?
2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene has a molecular weight of 347.03 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene is sourced from PubChem (CID 23234781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).