(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene

C8H10F2 — CID 89381383

IUPAC(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene
SMILESC/C=C\C(F)=C/C(F)=C/C
InChIInChI=1S/C8H10F2/c1-3-5-8(10)6-7(9)4-2/h3-6H,1-2H3/b5-3-,7-4-,8-6+
InChIKeyGCLBONHCKGAQPY-RZJSXHDJSA-N
MW144.16 g/mol
LogP3.29
Rot. Bonds2

About (2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene

(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene (PubChem CID 89381383) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is (2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene
PubChem CID89381383
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene
SMILESC/C=C\C(F)=C/C(F)=C/C
InChIInChI=1S/C8H10F2/c1-3-5-8(10)6-7(9)4-2/h3-6H,1-2H3/b5-3-,7-4-,8-6+
InChIKeyGCLBONHCKGAQPY-RZJSXHDJSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 53.29
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

ethene;(2E,4Z)-3-fluorohexa-2,4-diene
CID 143779998
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
2-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]sulfonyl-N,N-dimethylethanamine
CID 163853555
(4Z)-1,1-difluoro-3-methylidenehexa-1,4-diene
CID 144675274
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene
CID 88928216
(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine
CID 142861932
(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene
CID 134192246
(2Z,4Z,6Z)-3-fluoro-2,5-dimethylocta-2,4,6-trienenitrile
CID 146499155
(E)-2-fluorobut-2-enal
CID 19090867
(Z)-2-fluorobut-2-enal
CID 643145

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene?
The IUPAC name of (2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene (CID 89381383) is (2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene?
The canonical SMILES for (2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene is C/C=C\C(F)=C/C(F)=C/C.
What is the InChIKey of (2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene?
The InChIKey is GCLBONHCKGAQPY-RZJSXHDJSA-N. The full InChI is InChI=1S/C8H10F2/c1-3-5-8(10)6-7(9)4-2/h3-6H,1-2H3/b5-3-,7-4-,8-6+.
What are the key properties of (2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene?
(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene has a molecular weight of 144.16 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene is sourced from PubChem (CID 89381383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).