5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene

C8H5F9 — CID 3019663

IUPAC5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene
SMILESC=CCC(=C(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F9/c1-2-3-4(7(12,13)14)5(9)6(10,11)8(15,16)17/h2H,1,3H2
InChIKeyOMUNRUKWZBLGRN-UHFFFAOYSA-N
MW272.11 g/mol
LogP4.55
Rot. Bonds3

About 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene

5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene (PubChem CID 3019663) has the molecular formula C8H5F9 and a molecular weight of 272.11 g/mol. Its IUPAC name is 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene.

Molecular Properties

Compound Name5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene
PubChem CID3019663
Molecular FormulaC8H5F9
Molecular Weight272.11 g/mol
Exact Mass272.02
IUPAC Name5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene
SMILESC=CCC(=C(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F9/c1-2-3-4(7(12,13)14)5(9)6(10,11)8(15,16)17/h2H,1,3H2
InChIKeyOMUNRUKWZBLGRN-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 54.55
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 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene?
The IUPAC name of 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene (CID 3019663) is 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene.
What is the SMILES notation for 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene?
The canonical SMILES for 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene is C=CCC(=C(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene?
The InChIKey is OMUNRUKWZBLGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9/c1-2-3-4(7(12,13)14)5(9)6(10,11)8(15,16)17/h2H,1,3H2.
What are the key properties of 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene?
5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene has a molecular weight of 272.11 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene is sourced from PubChem (CID 3019663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).