1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene

C5F8 — CID 517864

IUPAC1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene
SMILESFC(F)=C(F)C(F)=C(F)C(F)(F)F
InChIInChI=1S/C5F8/c6-1(2(7)4(9)10)3(8)5(11,12)13
InChIKeyJPMVRUQJBIVGTQ-UHFFFAOYSA-N
MW212.04 g/mol
LogP3.78
Rot. Bonds1

About 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene

1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene (PubChem CID 517864) has the molecular formula C5F8 and a molecular weight of 212.04 g/mol. Its IUPAC name is 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene.

Molecular Properties

Compound Name1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene
PubChem CID517864
Molecular FormulaC5F8
Molecular Weight212.04 g/mol
Exact Mass211.99
IUPAC Name1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene
SMILESFC(F)=C(F)C(F)=C(F)C(F)(F)F
InChIInChI=1S/C5F8/c6-1(2(7)4(9)10)3(8)5(11,12)13
InChIKeyJPMVRUQJBIVGTQ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.04
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene with MolForge

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

Launch Full Analysis

Related Compounds

Perfluoro-2-butene
CID 2775851
Hexafluoro-1,3-butadiene
CID 69636
1,1,1,2,3,4,4,4-Octafluorobut-2-ene
CID 9678
Perfluoro-2-butene, (Z)-
CID 3034116
(E,E)-Perfluoro-2,4-hexadiene
CID 3036408
Perfluoro-2-methyl-2,4-pentadiene
CID 12696165
Perfluoro-2,4-hexadiene
CID 145012
Octafluoro-1,3-pentadiene
CID 5462742
1,3,5-Hexatriene, octafluoro-
CID 5373470
1,2,3,4,5-Pentafluorobenzene-6-ide
CID 23233864
(2E,4E,6E,8E)-perfluoro-2,4,6,8-decatetraene
CID 139262993
(Z,Z)-Perfluoro-2,4-hexadiene
CID 3036406

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene?
The IUPAC name of 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene (CID 517864) is 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene.
What is the SMILES notation for 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene?
The canonical SMILES for 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene is FC(F)=C(F)C(F)=C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene?
The InChIKey is JPMVRUQJBIVGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8/c6-1(2(7)4(9)10)3(8)5(11,12)13.
What are the key properties of 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene?
1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene has a molecular weight of 212.04 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene is sourced from PubChem (CID 517864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).