5,5,6,6,7,7,7-heptafluorohepta-2,3-diene

C7H5F7 — CID 139264104

IUPAC5,5,6,6,7,7,7-heptafluorohepta-2,3-diene
SMILESCC=C=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F7/c1-2-3-4-5(8,9)6(10,11)7(12,13)14/h2,4H,1H3
InChIKeyYAITZUWKSHGKED-UHFFFAOYSA-N
MW222.10 g/mol
LogP3.55
Rot. Bonds2

About 5,5,6,6,7,7,7-heptafluorohepta-2,3-diene

5,5,6,6,7,7,7-heptafluorohepta-2,3-diene (PubChem CID 139264104) has the molecular formula C7H5F7 and a molecular weight of 222.10 g/mol. Its IUPAC name is 5,5,6,6,7,7,7-heptafluorohepta-2,3-diene.

Molecular Properties

Compound Name5,5,6,6,7,7,7-heptafluorohepta-2,3-diene
PubChem CID139264104
Molecular FormulaC7H5F7
Molecular Weight222.10 g/mol
Exact Mass222.03
IUPAC Name5,5,6,6,7,7,7-heptafluorohepta-2,3-diene
SMILESCC=C=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F7/c1-2-3-4-5(8,9)6(10,11)7(12,13)14/h2,4H,1H3
InChIKeyYAITZUWKSHGKED-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,7-heptafluorohepta-2,3-diene?
The IUPAC name of 5,5,6,6,7,7,7-heptafluorohepta-2,3-diene (CID 139264104) is 5,5,6,6,7,7,7-heptafluorohepta-2,3-diene.
What is the SMILES notation for 5,5,6,6,7,7,7-heptafluorohepta-2,3-diene?
The canonical SMILES for 5,5,6,6,7,7,7-heptafluorohepta-2,3-diene is CC=C=CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,7-heptafluorohepta-2,3-diene?
The InChIKey is YAITZUWKSHGKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7/c1-2-3-4-5(8,9)6(10,11)7(12,13)14/h2,4H,1H3.
What are the key properties of 5,5,6,6,7,7,7-heptafluorohepta-2,3-diene?
5,5,6,6,7,7,7-heptafluorohepta-2,3-diene has a molecular weight of 222.10 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,7-heptafluorohepta-2,3-diene is sourced from PubChem (CID 139264104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).