(2Z,4E)-5-fluorohepta-2,4-diene

C7H11F — CID 59014442

IUPAC(2Z,4E)-5-fluorohepta-2,4-diene
SMILESC/C=C\C=C(\F)CC
InChIInChI=1S/C7H11F/c1-3-5-6-7(8)4-2/h3,5-6H,4H2,1-2H3/b5-3-,7-6+
InChIKeyHVPYWACXQSNDGD-AIJKMKQJSA-N
MW114.16 g/mol
LogP2.83
Rot. Bonds2

About (2Z,4E)-5-fluorohepta-2,4-diene

(2Z,4E)-5-fluorohepta-2,4-diene (PubChem CID 59014442) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is (2Z,4E)-5-fluorohepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-5-fluorohepta-2,4-diene
PubChem CID59014442
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name(2Z,4E)-5-fluorohepta-2,4-diene
SMILESC/C=C\C=C(\F)CC
InChIInChI=1S/C7H11F/c1-3-5-6-7(8)4-2/h3,5-6H,4H2,1-2H3/b5-3-,7-6+
InChIKeyHVPYWACXQSNDGD-AIJKMKQJSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.83
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
2,4-Heptadiene
CID 5367544
Hexadiene
CID 11602
1,3,6-Octatriene
CID 5367382
Npc195813
CID 5367474
Fucoserratene
CID 5367475
1,3-Heptadiene
CID 5462716
(z)-Octatriene
CID 11829383
1,3,6-Heptatriene
CID 5367381
3,5-Octadiene, (E,E)-
CID 5352266
1,3-Hexadiene, (Z)-
CID 5462879
Octa-1,3,6-triene
CID 30898

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-fluorohepta-2,4-diene?
The IUPAC name of (2Z,4E)-5-fluorohepta-2,4-diene (CID 59014442) is (2Z,4E)-5-fluorohepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-5-fluorohepta-2,4-diene?
The canonical SMILES for (2Z,4E)-5-fluorohepta-2,4-diene is C/C=C\C=C(\F)CC.
What is the InChIKey of (2Z,4E)-5-fluorohepta-2,4-diene?
The InChIKey is HVPYWACXQSNDGD-AIJKMKQJSA-N. The full InChI is InChI=1S/C7H11F/c1-3-5-6-7(8)4-2/h3,5-6H,4H2,1-2H3/b5-3-,7-6+.
What are the key properties of (2Z,4E)-5-fluorohepta-2,4-diene?
(2Z,4E)-5-fluorohepta-2,4-diene has a molecular weight of 114.16 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-fluorohepta-2,4-diene is sourced from PubChem (CID 59014442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).