1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene

C7H3F11 — CID 20618020

IUPAC1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene
SMILESCC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F11/c1-2(4(8,9)7(16,17)18)3(5(10,11)12)6(13,14)15/h1H3
InChIKeyPJODYOBLCHCBJD-UHFFFAOYSA-N
MW296.08 g/mol
LogP4.63
Rot. Bonds1

About 1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene

1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene (PubChem CID 20618020) has the molecular formula C7H3F11 and a molecular weight of 296.08 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene
PubChem CID20618020
Molecular FormulaC7H3F11
Molecular Weight296.08 g/mol
Exact Mass296.01
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene
SMILESCC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F11/c1-2(4(8,9)7(16,17)18)3(5(10,11)12)6(13,14)15/h1H3
InChIKeyPJODYOBLCHCBJD-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 54.63
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'}

Analyze 1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene (CID 20618020) is 1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene is CC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene?
The InChIKey is PJODYOBLCHCBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11/c1-2(4(8,9)7(16,17)18)3(5(10,11)12)6(13,14)15/h1H3.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene?
1,1,1,4,4,5,5,5-octafluoro-3-methyl-2-(trifluoromethyl)pent-2-ene has a molecular weight of 296.08 g/mol, XLogP of 4.63, 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-3-methyl-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 20618020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).