1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene

C6HF11 — CID 10221377

IUPAC1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)C(=CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11/c7-3(8,6(15,16)17)1-2(4(9,10)11)5(12,13)14/h1H
InChIKeyQSPZQCQWYKPYJI-UHFFFAOYSA-N
MW282.05 g/mol
LogP4.24
Rot. Bonds1

About 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene

1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene (PubChem CID 10221377) has the molecular formula C6HF11 and a molecular weight of 282.05 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
PubChem CID10221377
Molecular FormulaC6HF11
Molecular Weight282.05 g/mol
Exact Mass281.99
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)C(=CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11/c7-3(8,6(15,16)17)1-2(4(9,10)11)5(12,13)14/h1H
InChIKeyQSPZQCQWYKPYJI-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.05
LogP ≤ 54.24
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 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene (CID 10221377) is 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene is FC(F)(F)C(=CC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The InChIKey is QSPZQCQWYKPYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11/c7-3(8,6(15,16)17)1-2(4(9,10)11)5(12,13)14/h1H.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene has a molecular weight of 282.05 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 10221377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).