(2Z,5E)-6-fluoroocta-2,5-diene

C8H13F — CID 142845543

IUPAC(2Z,5E)-6-fluoroocta-2,5-diene
SMILESC/C=C\C/C=C(/F)CC
InChIInChI=1S/C8H13F/c1-3-5-6-7-8(9)4-2/h3,5,7H,4,6H2,1-2H3/b5-3-,8-7+
InChIKeyVXGWGEVCNKMFLU-ZIQCHISCSA-N
MW128.19 g/mol
LogP3.22
Rot. Bonds3

About (2Z,5E)-6-fluoroocta-2,5-diene

(2Z,5E)-6-fluoroocta-2,5-diene (PubChem CID 142845543) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is (2Z,5E)-6-fluoroocta-2,5-diene.

Molecular Properties

Compound Name(2Z,5E)-6-fluoroocta-2,5-diene
PubChem CID142845543
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name(2Z,5E)-6-fluoroocta-2,5-diene
SMILESC/C=C\C/C=C(/F)CC
InChIInChI=1S/C8H13F/c1-3-5-6-7-8(9)4-2/h3,5,7H,4,6H2,1-2H3/b5-3-,8-7+
InChIKeyVXGWGEVCNKMFLU-ZIQCHISCSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-6-fluoroocta-2,5-diene?
The IUPAC name of (2Z,5E)-6-fluoroocta-2,5-diene (CID 142845543) is (2Z,5E)-6-fluoroocta-2,5-diene.
What is the SMILES notation for (2Z,5E)-6-fluoroocta-2,5-diene?
The canonical SMILES for (2Z,5E)-6-fluoroocta-2,5-diene is C/C=C\C/C=C(/F)CC.
What is the InChIKey of (2Z,5E)-6-fluoroocta-2,5-diene?
The InChIKey is VXGWGEVCNKMFLU-ZIQCHISCSA-N. The full InChI is InChI=1S/C8H13F/c1-3-5-6-7-8(9)4-2/h3,5,7H,4,6H2,1-2H3/b5-3-,8-7+.
What are the key properties of (2Z,5E)-6-fluoroocta-2,5-diene?
(2Z,5E)-6-fluoroocta-2,5-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 (2Z,5E)-6-fluoroocta-2,5-diene is sourced from PubChem (CID 142845543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).