3,5-difluorohepta-2,4-diene

C7H10F2 — CID 155745111

IUPAC3,5-difluorohepta-2,4-diene
SMILESCC=C(F)C=C(F)CC
InChIInChI=1S/C7H10F2/c1-3-6(8)5-7(9)4-2/h3,5H,4H2,1-2H3
InChIKeyUVTJGLSUPAHUTC-UHFFFAOYSA-N
MW132.15 g/mol
LogP3.12
Rot. Bonds2

About 3,5-difluorohepta-2,4-diene

3,5-difluorohepta-2,4-diene (PubChem CID 155745111) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is 3,5-difluorohepta-2,4-diene.

Molecular Properties

Compound Name3,5-difluorohepta-2,4-diene
PubChem CID155745111
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name3,5-difluorohepta-2,4-diene
SMILESCC=C(F)C=C(F)CC
InChIInChI=1S/C7H10F2/c1-3-6(8)5-7(9)4-2/h3,5H,4H2,1-2H3
InChIKeyUVTJGLSUPAHUTC-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 53.12
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 3,5-difluorohepta-2,4-diene?
The IUPAC name of 3,5-difluorohepta-2,4-diene (CID 155745111) is 3,5-difluorohepta-2,4-diene.
What is the SMILES notation for 3,5-difluorohepta-2,4-diene?
The canonical SMILES for 3,5-difluorohepta-2,4-diene is CC=C(F)C=C(F)CC.
What is the InChIKey of 3,5-difluorohepta-2,4-diene?
The InChIKey is UVTJGLSUPAHUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2/c1-3-6(8)5-7(9)4-2/h3,5H,4H2,1-2H3.
What are the key properties of 3,5-difluorohepta-2,4-diene?
3,5-difluorohepta-2,4-diene has a molecular weight of 132.15 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluorohepta-2,4-diene is sourced from PubChem (CID 155745111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).