(3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene

C5F8 — CID 5462741

IUPAC(3Z)-1,1,2,3,4,5,5,5-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/b3-1-
InChIKeyJPMVRUQJBIVGTQ-IWQZZHSRSA-N
MW212.04 g/mol
LogP3.78
Rot. Bonds1

About (3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene

(3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene (PubChem CID 5462741) has the molecular formula C5F8 and a molecular weight of 212.04 g/mol. Its IUPAC name is (3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene.

Molecular Properties

Compound Name(3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene
PubChem CID5462741
Molecular FormulaC5F8
Molecular Weight212.04 g/mol
Exact Mass211.99
IUPAC Name(3Z)-1,1,2,3,4,5,5,5-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/b3-1-
InChIKeyJPMVRUQJBIVGTQ-IWQZZHSRSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene?
The IUPAC name of (3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene (CID 5462741) is (3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene.
What is the SMILES notation for (3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene?
The canonical SMILES for (3Z)-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 (3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene?
The InChIKey is JPMVRUQJBIVGTQ-IWQZZHSRSA-N. The full InChI is InChI=1S/C5F8/c6-1(2(7)4(9)10)3(8)5(11,12)13/b3-1-.
What are the key properties of (3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene?
(3Z)-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 (3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene is sourced from PubChem (CID 5462741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).