3-fluorohexa-1,5-diene

C6H9F — CID 86058349

IUPAC3-fluorohexa-1,5-diene
SMILESC=CCC(F)C=C
InChIInChI=1S/C6H9F/c1-3-5-6(7)4-2/h3-4,6H,1-2,5H2
InChIKeyNJYLEEUDCHZIOD-UHFFFAOYSA-N
MW100.14 g/mol
LogP2.09
Rot. Bonds3

About 3-fluorohexa-1,5-diene

3-fluorohexa-1,5-diene (PubChem CID 86058349) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 3-fluorohexa-1,5-diene.

Molecular Properties

Compound Name3-fluorohexa-1,5-diene
PubChem CID86058349
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name3-fluorohexa-1,5-diene
SMILESC=CCC(F)C=C
InChIInChI=1S/C6H9F/c1-3-5-6(7)4-2/h3-4,6H,1-2,5H2
InChIKeyNJYLEEUDCHZIOD-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Pentene
CID 8004
1,5-Hexadiene
CID 11598
1,6-Heptadiene
CID 16968
1-Hexene, 6-fluoro-
CID 9761
1-Pentene, 5-fluoro-
CID 67891
4-Fluoro-1-butene
CID 20234353
3-Fluoro-1-butene
CID 10952622
(1E)-1-fluoro-1-heptene
CID 22904171
3-Fluorohex-1-ene
CID 23437622
Fluorobutene
CID 53929488
Fluorohexene
CID 57359528
cis-1-Fluoro-1-hexene
CID 87950676

Frequently Asked Questions

What is the IUPAC name of 3-fluorohexa-1,5-diene?
The IUPAC name of 3-fluorohexa-1,5-diene (CID 86058349) is 3-fluorohexa-1,5-diene.
What is the SMILES notation for 3-fluorohexa-1,5-diene?
The canonical SMILES for 3-fluorohexa-1,5-diene is C=CCC(F)C=C.
What is the InChIKey of 3-fluorohexa-1,5-diene?
The InChIKey is NJYLEEUDCHZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-3-5-6(7)4-2/h3-4,6H,1-2,5H2.
What are the key properties of 3-fluorohexa-1,5-diene?
3-fluorohexa-1,5-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 3-fluorohexa-1,5-diene is sourced from PubChem (CID 86058349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).