(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene

C9H10F2 — CID 138723097

IUPAC(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene
SMILESC=CC(=C)/C=C(F)\C=C(/C)F
InChIInChI=1S/C9H10F2/c1-4-7(2)5-9(11)6-8(3)10/h4-6H,1-2H2,3H3/b8-6+,9-5+
InChIKeyDRIBFKKKGORSHY-RFSWUZDDSA-N
MW156.17 g/mol
LogP3.46
Rot. Bonds3

About (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene

(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene (PubChem CID 138723097) has the molecular formula C9H10F2 and a molecular weight of 156.17 g/mol. Its IUPAC name is (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene.

Molecular Properties

Compound Name(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene
PubChem CID138723097
Molecular FormulaC9H10F2
Molecular Weight156.17 g/mol
Exact Mass156.08
IUPAC Name(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene
SMILESC=CC(=C)/C=C(F)\C=C(/C)F
InChIInChI=1S/C9H10F2/c1-4-7(2)5-9(11)6-8(3)10/h4-6H,1-2H2,3H3/b8-6+,9-5+
InChIKeyDRIBFKKKGORSHY-RFSWUZDDSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
CID 118964187
(3E,5E)-4,6-difluorohepta-1,3,5-triene
CID 142874217
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
(3E,5E)-3,6-difluorohepta-1,3,5-triene
CID 126636482
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936
(4E)-5-fluoro-3-(1-fluoroethenylsulfanyl)-2-methylhexa-2,4-diene
CID 131989191
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
2-fluorobuta-1,3-diene
CID 551655
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine
CID 142861932
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene?
The IUPAC name of (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene (CID 138723097) is (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene.
What is the SMILES notation for (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene?
The canonical SMILES for (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene is C=CC(=C)/C=C(F)\C=C(/C)F.
What is the InChIKey of (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene?
The InChIKey is DRIBFKKKGORSHY-RFSWUZDDSA-N. The full InChI is InChI=1S/C9H10F2/c1-4-7(2)5-9(11)6-8(3)10/h4-6H,1-2H2,3H3/b8-6+,9-5+.
What are the key properties of (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene?
(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene has a molecular weight of 156.17 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene is sourced from PubChem (CID 138723097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).