4,6-difluorohepta-1,2,4-triene

C7H8F2 — CID 57025051

IUPAC4,6-difluorohepta-1,2,4-triene
SMILESC=C=CC(F)=CC(C)F
InChIInChI=1S/C7H8F2/c1-3-4-7(9)5-6(2)8/h4-6H,1H2,2H3
InChIKeyRUFLKFNJFVURGQ-UHFFFAOYSA-N
MW130.14 g/mol
LogP2.54
Rot. Bonds2

About 4,6-difluorohepta-1,2,4-triene

4,6-difluorohepta-1,2,4-triene (PubChem CID 57025051) has the molecular formula C7H8F2 and a molecular weight of 130.14 g/mol. Its IUPAC name is 4,6-difluorohepta-1,2,4-triene.

Molecular Properties

Compound Name4,6-difluorohepta-1,2,4-triene
PubChem CID57025051
Molecular FormulaC7H8F2
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name4,6-difluorohepta-1,2,4-triene
SMILESC=C=CC(F)=CC(C)F
InChIInChI=1S/C7H8F2/c1-3-4-7(9)5-6(2)8/h4-6H,1H2,2H3
InChIKeyRUFLKFNJFVURGQ-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 52.54
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 4,6-difluorohepta-1,2,4-triene?
The IUPAC name of 4,6-difluorohepta-1,2,4-triene (CID 57025051) is 4,6-difluorohepta-1,2,4-triene.
What is the SMILES notation for 4,6-difluorohepta-1,2,4-triene?
The canonical SMILES for 4,6-difluorohepta-1,2,4-triene is C=C=CC(F)=CC(C)F.
What is the InChIKey of 4,6-difluorohepta-1,2,4-triene?
The InChIKey is RUFLKFNJFVURGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2/c1-3-4-7(9)5-6(2)8/h4-6H,1H2,2H3.
What are the key properties of 4,6-difluorohepta-1,2,4-triene?
4,6-difluorohepta-1,2,4-triene has a molecular weight of 130.14 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluorohepta-1,2,4-triene is sourced from PubChem (CID 57025051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).