(1E)-1-fluorohexa-1,5-diene

C6H9F — CID 142001177

IUPAC(1E)-1-fluorohexa-1,5-diene
SMILESC=CCC/C=C/F
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h2,5-6H,1,3-4H2/b6-5+
InChIKeyJUTGTNAZNJUXLB-AATRIKPKSA-N
MW100.14 g/mol
LogP2.44
Rot. Bonds3

About (1E)-1-fluorohexa-1,5-diene

(1E)-1-fluorohexa-1,5-diene (PubChem CID 142001177) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is (1E)-1-fluorohexa-1,5-diene.

Molecular Properties

Compound Name(1E)-1-fluorohexa-1,5-diene
PubChem CID142001177
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name(1E)-1-fluorohexa-1,5-diene
SMILESC=CCC/C=C/F
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h2,5-6H,1,3-4H2/b6-5+
InChIKeyJUTGTNAZNJUXLB-AATRIKPKSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-fluorohexa-1,5-diene?
The IUPAC name of (1E)-1-fluorohexa-1,5-diene (CID 142001177) is (1E)-1-fluorohexa-1,5-diene.
What is the SMILES notation for (1E)-1-fluorohexa-1,5-diene?
The canonical SMILES for (1E)-1-fluorohexa-1,5-diene is C=CCC/C=C/F.
What is the InChIKey of (1E)-1-fluorohexa-1,5-diene?
The InChIKey is JUTGTNAZNJUXLB-AATRIKPKSA-N. The full InChI is InChI=1S/C6H9F/c1-2-3-4-5-6-7/h2,5-6H,1,3-4H2/b6-5+.
What are the key properties of (1E)-1-fluorohexa-1,5-diene?
(1E)-1-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 (1E)-1-fluorohexa-1,5-diene is sourced from PubChem (CID 142001177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).