3-fluorohexa-1,3-diene

C6H9F — CID 54475220

IUPAC3-fluorohexa-1,3-diene
SMILESC=CC(F)=CCC
InChIInChI=1S/C6H9F/c1-3-5-6(7)4-2/h4-5H,2-3H2,1H3
InChIKeyXLBUZTDBUWPZJV-UHFFFAOYSA-N
MW100.14 g/mol
LogP2.44
Rot. Bonds2

About 3-fluorohexa-1,3-diene

3-fluorohexa-1,3-diene (PubChem CID 54475220) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 3-fluorohexa-1,3-diene.

Molecular Properties

Compound Name3-fluorohexa-1,3-diene
PubChem CID54475220
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name3-fluorohexa-1,3-diene
SMILESC=CC(F)=CCC
InChIInChI=1S/C6H9F/c1-3-5-6(7)4-2/h4-5H,2-3H2,1H3
InChIKeyXLBUZTDBUWPZJV-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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': '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 3-fluorohexa-1,3-diene?
The IUPAC name of 3-fluorohexa-1,3-diene (CID 54475220) is 3-fluorohexa-1,3-diene.
What is the SMILES notation for 3-fluorohexa-1,3-diene?
The canonical SMILES for 3-fluorohexa-1,3-diene is C=CC(F)=CCC.
What is the InChIKey of 3-fluorohexa-1,3-diene?
The InChIKey is XLBUZTDBUWPZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-3-5-6(7)4-2/h4-5H,2-3H2,1H3.
What are the key properties of 3-fluorohexa-1,3-diene?
3-fluorohexa-1,3-diene has a molecular weight of 100.14 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorohexa-1,3-diene is sourced from PubChem (CID 54475220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).