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

C5HF7 — CID 137422612

IUPAC(3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene
SMILESFC(F)=C(F)/C(F)=C(\F)C(F)F
InChIInChI=1S/C5HF7/c6-1(2(7)4(9)10)3(8)5(11)12/h4H/b2-1+
InChIKeyDZSLZHCSIXOHBE-OWOJBTEDSA-N
MW194.05 g/mol
LogP3.48
Rot. Bonds2

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

(3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene (PubChem CID 137422612) has the molecular formula C5HF7 and a molecular weight of 194.05 g/mol. Its IUPAC name is (3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene.

Molecular Properties

Compound Name(3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene
PubChem CID137422612
Molecular FormulaC5HF7
Molecular Weight194.05 g/mol
Exact Mass194.00
IUPAC Name(3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene
SMILESFC(F)=C(F)/C(F)=C(\F)C(F)F
InChIInChI=1S/C5HF7/c6-1(2(7)4(9)10)3(8)5(11)12/h4H/b2-1+
InChIKeyDZSLZHCSIXOHBE-OWOJBTEDSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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'}

Analyze (3E)-1,1,2,3,4,5,5-heptafluoropenta-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

Frequently Asked Questions

What is the IUPAC name of (3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene?
The IUPAC name of (3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene (CID 137422612) is (3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene.
What is the SMILES notation for (3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene?
The canonical SMILES for (3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene is FC(F)=C(F)/C(F)=C(\F)C(F)F.
What is the InChIKey of (3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene?
The InChIKey is DZSLZHCSIXOHBE-OWOJBTEDSA-N. The full InChI is InChI=1S/C5HF7/c6-1(2(7)4(9)10)3(8)5(11)12/h4H/b2-1+.
What are the key properties of (3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene?
(3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene has a molecular weight of 194.05 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,2,3,4,5,5-heptafluoropenta-1,3-diene is sourced from PubChem (CID 137422612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).