(1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene

C5HF7 — CID 87448644

IUPAC(1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene
SMILESF/C=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/b2-1-,4-3+
InChIKeyAHACWOXYXYGDFX-BXTBVDPRSA-N
MW194.05 g/mol
LogP3.48
Rot. Bonds1

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

(1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene (PubChem CID 87448644) has the molecular formula C5HF7 and a molecular weight of 194.05 g/mol. Its IUPAC name is (1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene
PubChem CID87448644
Molecular FormulaC5HF7
Molecular Weight194.05 g/mol
Exact Mass194.00
IUPAC Name(1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene
SMILESF/C=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/b2-1-,4-3+
InChIKeyAHACWOXYXYGDFX-BXTBVDPRSA-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 (1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene?
The IUPAC name of (1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene (CID 87448644) is (1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene.
What is the SMILES notation for (1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene?
The canonical SMILES for (1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene is F/C=C(F)/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of (1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene?
The InChIKey is AHACWOXYXYGDFX-BXTBVDPRSA-N. The full InChI is InChI=1S/C5HF7/c6-1-2(7)3(8)4(9)5(10,11)12/h1H/b2-1-,4-3+.
What are the key properties of (1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene?
(1Z,3E)-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 (1Z,3E)-1,2,3,4,5,5,5-heptafluoropenta-1,3-diene is sourced from PubChem (CID 87448644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).