2-fluoro-4-methoxypenta-1,3-diene

C6H9FO — CID 123630113

IUPAC2-fluoro-4-methoxypenta-1,3-diene
SMILESC=C(F)C=C(C)OC
InChIInChI=1S/C6H9FO/c1-5(7)4-6(2)8-3/h4H,1H2,2-3H3
InChIKeyULZBHQWERUGZIV-UHFFFAOYSA-N
MW116.13 g/mol
LogP2.02
Rot. Bonds2

About 2-fluoro-4-methoxypenta-1,3-diene

2-fluoro-4-methoxypenta-1,3-diene (PubChem CID 123630113) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-fluoro-4-methoxypenta-1,3-diene.

Molecular Properties

Compound Name2-fluoro-4-methoxypenta-1,3-diene
PubChem CID123630113
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-fluoro-4-methoxypenta-1,3-diene
SMILESC=C(F)C=C(C)OC
InChIInChI=1S/C6H9FO/c1-5(7)4-6(2)8-3/h4H,1H2,2-3H3
InChIKeyULZBHQWERUGZIV-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxypenta-1,3-diene?
The IUPAC name of 2-fluoro-4-methoxypenta-1,3-diene (CID 123630113) is 2-fluoro-4-methoxypenta-1,3-diene.
What is the SMILES notation for 2-fluoro-4-methoxypenta-1,3-diene?
The canonical SMILES for 2-fluoro-4-methoxypenta-1,3-diene is C=C(F)C=C(C)OC.
What is the InChIKey of 2-fluoro-4-methoxypenta-1,3-diene?
The InChIKey is ULZBHQWERUGZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-5(7)4-6(2)8-3/h4H,1H2,2-3H3.
What are the key properties of 2-fluoro-4-methoxypenta-1,3-diene?
2-fluoro-4-methoxypenta-1,3-diene has a molecular weight of 116.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxypenta-1,3-diene is sourced from PubChem (CID 123630113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).