2-fluoro-5-methylideneocta-1,3-diene

C9H13F — CID 91100331

IUPAC2-fluoro-5-methylideneocta-1,3-diene
SMILESC=C(F)C=CC(=C)CCC
InChIInChI=1S/C9H13F/c1-4-5-8(2)6-7-9(3)10/h6-7H,2-5H2,1H3
InChIKeyBGAYPUKPIHEHFS-UHFFFAOYSA-N
MW140.20 g/mol
LogP3.38
Rot. Bonds4

About 2-fluoro-5-methylideneocta-1,3-diene

2-fluoro-5-methylideneocta-1,3-diene (PubChem CID 91100331) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 2-fluoro-5-methylideneocta-1,3-diene.

Molecular Properties

Compound Name2-fluoro-5-methylideneocta-1,3-diene
PubChem CID91100331
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name2-fluoro-5-methylideneocta-1,3-diene
SMILESC=C(F)C=CC(=C)CCC
InChIInChI=1S/C9H13F/c1-4-5-8(2)6-7-9(3)10/h6-7H,2-5H2,1H3
InChIKeyBGAYPUKPIHEHFS-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.38
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 2-fluoro-5-methylideneocta-1,3-diene?
The IUPAC name of 2-fluoro-5-methylideneocta-1,3-diene (CID 91100331) is 2-fluoro-5-methylideneocta-1,3-diene.
What is the SMILES notation for 2-fluoro-5-methylideneocta-1,3-diene?
The canonical SMILES for 2-fluoro-5-methylideneocta-1,3-diene is C=C(F)C=CC(=C)CCC.
What is the InChIKey of 2-fluoro-5-methylideneocta-1,3-diene?
The InChIKey is BGAYPUKPIHEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-4-5-8(2)6-7-9(3)10/h6-7H,2-5H2,1H3.
What are the key properties of 2-fluoro-5-methylideneocta-1,3-diene?
2-fluoro-5-methylideneocta-1,3-diene has a molecular weight of 140.20 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylideneocta-1,3-diene is sourced from PubChem (CID 91100331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).