4-fluoro-3-methylidenehexa-1,4-diene

C7H9F — CID 123450027

IUPAC4-fluoro-3-methylidenehexa-1,4-diene
SMILESC=CC(=C)C(F)=CC
InChIInChI=1S/C7H9F/c1-4-6(3)7(8)5-2/h4-5H,1,3H2,2H3
InChIKeyYCLDISRQYCANLQ-UHFFFAOYSA-N
MW112.15 g/mol
LogP2.60
Rot. Bonds2

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

4-fluoro-3-methylidenehexa-1,4-diene (PubChem CID 123450027) has the molecular formula C7H9F and a molecular weight of 112.15 g/mol. Its IUPAC name is 4-fluoro-3-methylidenehexa-1,4-diene.

Molecular Properties

Compound Name4-fluoro-3-methylidenehexa-1,4-diene
PubChem CID123450027
Molecular FormulaC7H9F
Molecular Weight112.15 g/mol
Exact Mass112.07
IUPAC Name4-fluoro-3-methylidenehexa-1,4-diene
SMILESC=CC(=C)C(F)=CC
InChIInChI=1S/C7H9F/c1-4-6(3)7(8)5-2/h4-5H,1,3H2,2H3
InChIKeyYCLDISRQYCANLQ-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 52.60
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 4-fluoro-3-methylidenehexa-1,4-diene?
The IUPAC name of 4-fluoro-3-methylidenehexa-1,4-diene (CID 123450027) is 4-fluoro-3-methylidenehexa-1,4-diene.
What is the SMILES notation for 4-fluoro-3-methylidenehexa-1,4-diene?
The canonical SMILES for 4-fluoro-3-methylidenehexa-1,4-diene is C=CC(=C)C(F)=CC.
What is the InChIKey of 4-fluoro-3-methylidenehexa-1,4-diene?
The InChIKey is YCLDISRQYCANLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F/c1-4-6(3)7(8)5-2/h4-5H,1,3H2,2H3.
What are the key properties of 4-fluoro-3-methylidenehexa-1,4-diene?
4-fluoro-3-methylidenehexa-1,4-diene has a molecular weight of 112.15 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methylidenehexa-1,4-diene is sourced from PubChem (CID 123450027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).