4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene

C7H7F7O — CID 91264552

IUPAC4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene
SMILESCOCC=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F7O/c1-15-4-2-3-5(8,9)6(10,11)7(12,13)14/h2-3H,4H2,1H3
InChIKeyCWQHFJQTXUMBPS-UHFFFAOYSA-N
MW240.12 g/mol
LogP3.02
Rot. Bonds4

About 4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene

4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene (PubChem CID 91264552) has the molecular formula C7H7F7O and a molecular weight of 240.12 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene
PubChem CID91264552
Molecular FormulaC7H7F7O
Molecular Weight240.12 g/mol
Exact Mass240.04
IUPAC Name4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene
SMILESCOCC=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F7O/c1-15-4-2-3-5(8,9)6(10,11)7(12,13)14/h2-3H,4H2,1H3
InChIKeyCWQHFJQTXUMBPS-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene?
The IUPAC name of 4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene (CID 91264552) is 4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene is COCC=CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene?
The InChIKey is CWQHFJQTXUMBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O/c1-15-4-2-3-5(8,9)6(10,11)7(12,13)14/h2-3H,4H2,1H3.
What are the key properties of 4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene?
4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene has a molecular weight of 240.12 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluoro-1-methoxyhex-2-ene is sourced from PubChem (CID 91264552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).