3-fluoro-4-methylpenta-1,3-diene

C6H9F — CID 12638873

IUPAC3-fluoro-4-methylpenta-1,3-diene
SMILESC=CC(F)=C(C)C
InChIInChI=1S/C6H9F/c1-4-6(7)5(2)3/h4H,1H2,2-3H3
InChIKeyVPUBQECFXPRSIO-UHFFFAOYSA-N
MW100.14 g/mol
LogP2.44
Rot. Bonds1

About 3-fluoro-4-methylpenta-1,3-diene

3-fluoro-4-methylpenta-1,3-diene (PubChem CID 12638873) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 3-fluoro-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name3-fluoro-4-methylpenta-1,3-diene
PubChem CID12638873
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name3-fluoro-4-methylpenta-1,3-diene
SMILESC=CC(F)=C(C)C
InChIInChI=1S/C6H9F/c1-4-6(7)5(2)3/h4H,1H2,2-3H3
InChIKeyVPUBQECFXPRSIO-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylpenta-1,3-diene?
The IUPAC name of 3-fluoro-4-methylpenta-1,3-diene (CID 12638873) is 3-fluoro-4-methylpenta-1,3-diene.
What is the SMILES notation for 3-fluoro-4-methylpenta-1,3-diene?
The canonical SMILES for 3-fluoro-4-methylpenta-1,3-diene is C=CC(F)=C(C)C.
What is the InChIKey of 3-fluoro-4-methylpenta-1,3-diene?
The InChIKey is VPUBQECFXPRSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-4-6(7)5(2)3/h4H,1H2,2-3H3.
What are the key properties of 3-fluoro-4-methylpenta-1,3-diene?
3-fluoro-4-methylpenta-1,3-diene has a molecular weight of 100.14 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylpenta-1,3-diene is sourced from PubChem (CID 12638873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).