3-fluoroocta-2,4-diene

C8H13F — CID 86119882

IUPAC3-fluoroocta-2,4-diene
SMILESCC=C(F)C=CCCC
InChIInChI=1S/C8H13F/c1-3-5-6-7-8(9)4-2/h4,6-7H,3,5H2,1-2H3
InChIKeyNSJKXZKCUUEPPT-UHFFFAOYSA-N
MW128.19 g/mol
LogP3.22
Rot. Bonds3

About 3-fluoroocta-2,4-diene

3-fluoroocta-2,4-diene (PubChem CID 86119882) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is 3-fluoroocta-2,4-diene.

Molecular Properties

Compound Name3-fluoroocta-2,4-diene
PubChem CID86119882
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name3-fluoroocta-2,4-diene
SMILESCC=C(F)C=CCCC
InChIInChI=1S/C8H13F/c1-3-5-6-7-8(9)4-2/h4,6-7H,3,5H2,1-2H3
InChIKeyNSJKXZKCUUEPPT-UHFFFAOYSA-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-Octadiene
CID 517653
trans-2-trans-4-Nonadiene
CID 5358327
2,4-Octadiene
CID 5367588
2,4-Nonadiene
CID 521755
1,3,7-Octatriene
CID 5365557
(2E,4E)-2,4-Nonadiene
CID 5365765
1,3,5,7-Undecatetraene
CID 53930276
1,3,6-Octatriene
CID 5367382
Npc195813
CID 5367474
Fucoserratene
CID 5367475
1,3-Heptadiene
CID 5462716
(z)-Octatriene
CID 11829383

Frequently Asked Questions

What is the IUPAC name of 3-fluoroocta-2,4-diene?
The IUPAC name of 3-fluoroocta-2,4-diene (CID 86119882) is 3-fluoroocta-2,4-diene.
What is the SMILES notation for 3-fluoroocta-2,4-diene?
The canonical SMILES for 3-fluoroocta-2,4-diene is CC=C(F)C=CCCC.
What is the InChIKey of 3-fluoroocta-2,4-diene?
The InChIKey is NSJKXZKCUUEPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F/c1-3-5-6-7-8(9)4-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 3-fluoroocta-2,4-diene?
3-fluoroocta-2,4-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 3-fluoroocta-2,4-diene is sourced from PubChem (CID 86119882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).