2,5-difluorohepta-2,4-diene

C7H10F2 — CID 123571329

IUPAC2,5-difluorohepta-2,4-diene
SMILESCCC(F)=CC=C(C)F
InChIInChI=1S/C7H10F2/c1-3-7(9)5-4-6(2)8/h4-5H,3H2,1-2H3
InChIKeyGEDNDYYUBWHHPA-UHFFFAOYSA-N
MW132.15 g/mol
LogP3.12
Rot. Bonds2

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

2,5-difluorohepta-2,4-diene (PubChem CID 123571329) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is 2,5-difluorohepta-2,4-diene.

Molecular Properties

Compound Name2,5-difluorohepta-2,4-diene
PubChem CID123571329
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name2,5-difluorohepta-2,4-diene
SMILESCCC(F)=CC=C(C)F
InChIInChI=1S/C7H10F2/c1-3-7(9)5-4-6(2)8/h4-5H,3H2,1-2H3
InChIKeyGEDNDYYUBWHHPA-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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Related Compounds

(Z)-3-fluorohex-3-ene
CID 12756891
4-Methyl-2-trifluoromethylpentadiene
CID 90166011
Fluoroheptadiene
CID 129760108
(3E)-2-fluoro-1,3-heptadiene
CID 15209488
(3Z,5Z)-4-fluoronona-3,5-diene
CID 21723812
(E)-3-fluorohex-3-ene
CID 12756890
(3E)-5,5-difluorohexa-1,3-diene
CID 12757175
(3Z)-3-fluoro-2-methylpenta-1,3-diene
CID 13165649
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
1,3-Difluorocyclopenta-1,3-diene
CID 18520950
(3Z)-3-fluorohexa-1,3-diene
CID 20065290
(3E)-3-fluorohepta-1,3-diene
CID 20065292

Frequently Asked Questions

What is the IUPAC name of 2,5-difluorohepta-2,4-diene?
The IUPAC name of 2,5-difluorohepta-2,4-diene (CID 123571329) is 2,5-difluorohepta-2,4-diene.
What is the SMILES notation for 2,5-difluorohepta-2,4-diene?
The canonical SMILES for 2,5-difluorohepta-2,4-diene is CCC(F)=CC=C(C)F.
What is the InChIKey of 2,5-difluorohepta-2,4-diene?
The InChIKey is GEDNDYYUBWHHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2/c1-3-7(9)5-4-6(2)8/h4-5H,3H2,1-2H3.
What are the key properties of 2,5-difluorohepta-2,4-diene?
2,5-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 2,5-difluorohepta-2,4-diene is sourced from PubChem (CID 123571329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).