(3E,5Z)-4-fluoroocta-3,5-diene

C8H13F — CID 87152869

IUPAC(3E,5Z)-4-fluoroocta-3,5-diene
SMILESCC/C=C\C(F)=C/CC
InChIInChI=1S/C8H13F/c1-3-5-7-8(9)6-4-2/h5-7H,3-4H2,1-2H3/b7-5-,8-6+
InChIKeyRSPZZEDJBXYLJH-CGXWXWIYSA-N
MW128.19 g/mol
LogP3.22
Rot. Bonds3

About (3E,5Z)-4-fluoroocta-3,5-diene

(3E,5Z)-4-fluoroocta-3,5-diene (PubChem CID 87152869) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is (3E,5Z)-4-fluoroocta-3,5-diene.

Molecular Properties

Compound Name(3E,5Z)-4-fluoroocta-3,5-diene
PubChem CID87152869
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name(3E,5Z)-4-fluoroocta-3,5-diene
SMILESCC/C=C\C(F)=C/CC
InChIInChI=1S/C8H13F/c1-3-5-7-8(9)6-4-2/h5-7H,3-4H2,1-2H3/b7-5-,8-6+
InChIKeyRSPZZEDJBXYLJH-CGXWXWIYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 53.22
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

1,3-Hexadiene
CID 39175
1,3-Octadiene
CID 517653
Dimethylhexadiene
CID 6365525
2,4-Octadiene
CID 5367588
1,3,5,7-Undecatetraene
CID 53930276
2,4-Heptadiene
CID 5367544
Hexadiene
CID 11602
1,3,6-Heptatriene, 5-methyl-
CID 5367027
1,3,6-Octatriene
CID 5367382
Npc195813
CID 5367474
Fucoserratene
CID 5367475
Cosmene
CID 5368451

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-fluoroocta-3,5-diene?
The IUPAC name of (3E,5Z)-4-fluoroocta-3,5-diene (CID 87152869) is (3E,5Z)-4-fluoroocta-3,5-diene.
What is the SMILES notation for (3E,5Z)-4-fluoroocta-3,5-diene?
The canonical SMILES for (3E,5Z)-4-fluoroocta-3,5-diene is CC/C=C\C(F)=C/CC.
What is the InChIKey of (3E,5Z)-4-fluoroocta-3,5-diene?
The InChIKey is RSPZZEDJBXYLJH-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H13F/c1-3-5-7-8(9)6-4-2/h5-7H,3-4H2,1-2H3/b7-5-,8-6+.
What are the key properties of (3E,5Z)-4-fluoroocta-3,5-diene?
(3E,5Z)-4-fluoroocta-3,5-diene has a molecular weight of 128.19 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-fluoroocta-3,5-diene is sourced from PubChem (CID 87152869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).