(3Z)-6-fluorohexa-1,3-diene

C6H9F — CID 147850000

IUPAC(3Z)-6-fluorohexa-1,3-diene
SMILESC=C/C=C\CCF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h2-4H,1,5-6H2/b4-3-
InChIKeyHUQCCADTOWEHFQ-ARJAWSKDSA-N
MW100.14 g/mol
LogP2.09
Rot. Bonds3

About (3Z)-6-fluorohexa-1,3-diene

(3Z)-6-fluorohexa-1,3-diene (PubChem CID 147850000) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is (3Z)-6-fluorohexa-1,3-diene.

Molecular Properties

Compound Name(3Z)-6-fluorohexa-1,3-diene
PubChem CID147850000
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name(3Z)-6-fluorohexa-1,3-diene
SMILESC=C/C=C\CCF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h2-4H,1,5-6H2/b4-3-
InChIKeyHUQCCADTOWEHFQ-ARJAWSKDSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-fluorohexa-1,3-diene?
The IUPAC name of (3Z)-6-fluorohexa-1,3-diene (CID 147850000) is (3Z)-6-fluorohexa-1,3-diene.
What is the SMILES notation for (3Z)-6-fluorohexa-1,3-diene?
The canonical SMILES for (3Z)-6-fluorohexa-1,3-diene is C=C/C=C\CCF.
What is the InChIKey of (3Z)-6-fluorohexa-1,3-diene?
The InChIKey is HUQCCADTOWEHFQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9F/c1-2-3-4-5-6-7/h2-4H,1,5-6H2/b4-3-.
What are the key properties of (3Z)-6-fluorohexa-1,3-diene?
(3Z)-6-fluorohexa-1,3-diene has a molecular weight of 100.14 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-fluorohexa-1,3-diene is sourced from PubChem (CID 147850000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).