1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene

C10H12F8 — CID 71429345

IUPAC1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene
SMILESCC(C)(C)CC=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F8/c1-7(2,3)5-4-6(11)8(12,13)9(14,15)10(16,17)18/h4H,5H2,1-3H3
InChIKeyAQGWVKJSVXSZGI-UHFFFAOYSA-N
MW284.19 g/mol
LogP5.11
Rot. Bonds3

About 1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene

1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene (PubChem CID 71429345) has the molecular formula C10H12F8 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene
PubChem CID71429345
Molecular FormulaC10H12F8
Molecular Weight284.19 g/mol
Exact Mass284.08
IUPAC Name1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene
SMILESCC(C)(C)CC=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F8/c1-7(2,3)5-4-6(11)8(12,13)9(14,15)10(16,17)18/h4H,5H2,1-3H3
InChIKeyAQGWVKJSVXSZGI-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.19
LogP ≤ 55.11
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 1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene?
The IUPAC name of 1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene (CID 71429345) is 1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene?
The canonical SMILES for 1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene is CC(C)(C)CC=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene?
The InChIKey is AQGWVKJSVXSZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8/c1-7(2,3)5-4-6(11)8(12,13)9(14,15)10(16,17)18/h4H,5H2,1-3H3.
What are the key properties of 1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene?
1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene has a molecular weight of 284.19 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4-octafluoro-7,7-dimethyloct-4-ene is sourced from PubChem (CID 71429345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).