6,7-difluoroocta-1,4,6-triene

C8H10F2 — CID 91531817

IUPAC6,7-difluoroocta-1,4,6-triene
SMILESC=CCC=CC(F)=C(C)F
InChIInChI=1S/C8H10F2/c1-3-4-5-6-8(10)7(2)9/h3,5-6H,1,4H2,2H3
InChIKeyFZMMLZGZIBRVLB-UHFFFAOYSA-N
MW144.16 g/mol
LogP3.29
Rot. Bonds3

About 6,7-difluoroocta-1,4,6-triene

6,7-difluoroocta-1,4,6-triene (PubChem CID 91531817) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is 6,7-difluoroocta-1,4,6-triene.

Molecular Properties

Compound Name6,7-difluoroocta-1,4,6-triene
PubChem CID91531817
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name6,7-difluoroocta-1,4,6-triene
SMILESC=CCC=CC(F)=C(C)F
InChIInChI=1S/C8H10F2/c1-3-4-5-6-8(10)7(2)9/h3,5-6H,1,4H2,2H3
InChIKeyFZMMLZGZIBRVLB-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(2Z)-hexa-2,5-dien-2-ol
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(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
(2E)-1-trimethylsilylhexa-2,5-dien-1-one
CID 11126675
(4Z)-octa-1,4,7-trien-3-one
CID 134866608
(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
CID 162518511
acetic acid;hexa-1,4-diene
CID 174398643
hexa-1,4-diene
CID 163631115
(1E)-1-fluoropenta-1,4-diene
CID 87196328
3-methylhepta-1,3,6-triene
CID 71444747

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoroocta-1,4,6-triene?
The IUPAC name of 6,7-difluoroocta-1,4,6-triene (CID 91531817) is 6,7-difluoroocta-1,4,6-triene.
What is the SMILES notation for 6,7-difluoroocta-1,4,6-triene?
The canonical SMILES for 6,7-difluoroocta-1,4,6-triene is C=CCC=CC(F)=C(C)F.
What is the InChIKey of 6,7-difluoroocta-1,4,6-triene?
The InChIKey is FZMMLZGZIBRVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2/c1-3-4-5-6-8(10)7(2)9/h3,5-6H,1,4H2,2H3.
What are the key properties of 6,7-difluoroocta-1,4,6-triene?
6,7-difluoroocta-1,4,6-triene has a molecular weight of 144.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoroocta-1,4,6-triene is sourced from PubChem (CID 91531817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).