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

C5HF7 — CID 90890815

IUPAC1,2,3,4,5,5,5-heptafluoropenta-1,3-diene
SMILESFC=C(F)C(F)=C(F)C(F)(F)F
InChIInChI=1S/C5HF7/c6-1-2(7)3(8)4(9)5(10,11)12/h1H
InChIKeyAHACWOXYXYGDFX-UHFFFAOYSA-N
MW194.05 g/mol
LogP3.48
Rot. Bonds1

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

1,2,3,4,5,5,5-heptafluoropenta-1,3-diene (PubChem CID 90890815) has the molecular formula C5HF7 and a molecular weight of 194.05 g/mol. Its IUPAC name is 1,2,3,4,5,5,5-heptafluoropenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5,5,5-heptafluoropenta-1,3-diene
PubChem CID90890815
Molecular FormulaC5HF7
Molecular Weight194.05 g/mol
Exact Mass194.00
IUPAC Name1,2,3,4,5,5,5-heptafluoropenta-1,3-diene
SMILESFC=C(F)C(F)=C(F)C(F)(F)F
InChIInChI=1S/C5HF7/c6-1-2(7)3(8)4(9)5(10,11)12/h1H
InChIKeyAHACWOXYXYGDFX-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 53.48
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 1,2,3,4,5,5,5-heptafluoropenta-1,3-diene?
The IUPAC name of 1,2,3,4,5,5,5-heptafluoropenta-1,3-diene (CID 90890815) is 1,2,3,4,5,5,5-heptafluoropenta-1,3-diene.
What is the SMILES notation for 1,2,3,4,5,5,5-heptafluoropenta-1,3-diene?
The canonical SMILES for 1,2,3,4,5,5,5-heptafluoropenta-1,3-diene is FC=C(F)C(F)=C(F)C(F)(F)F.
What is the InChIKey of 1,2,3,4,5,5,5-heptafluoropenta-1,3-diene?
The InChIKey is AHACWOXYXYGDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF7/c6-1-2(7)3(8)4(9)5(10,11)12/h1H.
What are the key properties of 1,2,3,4,5,5,5-heptafluoropenta-1,3-diene?
1,2,3,4,5,5,5-heptafluoropenta-1,3-diene has a molecular weight of 194.05 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5,5-heptafluoropenta-1,3-diene is sourced from PubChem (CID 90890815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).