2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane

C11H6F10 — CID 87104270

IUPAC2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
SMILESC=CC1(F)C(F)(C=C)C2(F)C(F)(F)C(F)(F)C1(F)C2(F)F
InChIInChI=1S/C11H6F10/c1-3-5(12)6(13,4-2)8(15)9(16,17)7(5,14)10(18,19)11(8,20)21/h3-4H,1-2H2
InChIKeyFFEPFBZTQXAWQL-UHFFFAOYSA-N
MW328.15 g/mol
LogP4.12
Rot. Bonds2

About 2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane

2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane (PubChem CID 87104270) has the molecular formula C11H6F10 and a molecular weight of 328.15 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
PubChem CID87104270
Molecular FormulaC11H6F10
Molecular Weight328.15 g/mol
Exact Mass328.03
IUPAC Name2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
SMILESC=CC1(F)C(F)(C=C)C2(F)C(F)(F)C(F)(F)C1(F)C2(F)F
InChIInChI=1S/C11H6F10/c1-3-5(12)6(13,4-2)8(15)9(16,17)7(5,14)10(18,19)11(8,20)21/h3-4H,1-2H2
InChIKeyFFEPFBZTQXAWQL-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 54.12
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 2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
The IUPAC name of 2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane (CID 87104270) is 2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane is C=CC1(F)C(F)(C=C)C2(F)C(F)(F)C(F)(F)C1(F)C2(F)F.
What is the InChIKey of 2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
The InChIKey is FFEPFBZTQXAWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F10/c1-3-5(12)6(13,4-2)8(15)9(16,17)7(5,14)10(18,19)11(8,20)21/h3-4H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane has a molecular weight of 328.15 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 87104270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).