2-fluorohexa-1,5-diene

C6H9F — CID 20816680

IUPAC2-fluorohexa-1,5-diene
SMILESC=CCCC(=C)F
InChIInChI=1S/C6H9F/c1-3-4-5-6(2)7/h3H,1-2,4-5H2
InChIKeyZEZAKNMHFDIGLJ-UHFFFAOYSA-N
MW100.14 g/mol
LogP2.44
Rot. Bonds3

About 2-fluorohexa-1,5-diene

2-fluorohexa-1,5-diene (PubChem CID 20816680) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 2-fluorohexa-1,5-diene.

Molecular Properties

Compound Name2-fluorohexa-1,5-diene
PubChem CID20816680
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name2-fluorohexa-1,5-diene
SMILESC=CCCC(=C)F
InChIInChI=1S/C6H9F/c1-3-4-5-6(2)7/h3H,1-2,4-5H2
InChIKeyZEZAKNMHFDIGLJ-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 52.44
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 2-fluorohexa-1,5-diene?
The IUPAC name of 2-fluorohexa-1,5-diene (CID 20816680) is 2-fluorohexa-1,5-diene.
What is the SMILES notation for 2-fluorohexa-1,5-diene?
The canonical SMILES for 2-fluorohexa-1,5-diene is C=CCCC(=C)F.
What is the InChIKey of 2-fluorohexa-1,5-diene?
The InChIKey is ZEZAKNMHFDIGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-3-4-5-6(2)7/h3H,1-2,4-5H2.
What are the key properties of 2-fluorohexa-1,5-diene?
2-fluorohexa-1,5-diene has a molecular weight of 100.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorohexa-1,5-diene is sourced from PubChem (CID 20816680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).