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

C8H13FO — CID 87088576

IUPAC1-ethoxy-1-fluoro-4-methylpenta-1,3-diene
SMILESCCOC(F)=CC=C(C)C
InChIInChI=1S/C8H13FO/c1-4-10-8(9)6-5-7(2)3/h5-6H,4H2,1-3H3
InChIKeyHDFQMOLQWLYWSB-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.80
Rot. Bonds3

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

1-ethoxy-1-fluoro-4-methylpenta-1,3-diene (PubChem CID 87088576) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-ethoxy-1-fluoro-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name1-ethoxy-1-fluoro-4-methylpenta-1,3-diene
PubChem CID87088576
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name1-ethoxy-1-fluoro-4-methylpenta-1,3-diene
SMILESCCOC(F)=CC=C(C)C
InChIInChI=1S/C8H13FO/c1-4-10-8(9)6-5-7(2)3/h5-6H,4H2,1-3H3
InChIKeyHDFQMOLQWLYWSB-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.80
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 1-ethoxy-1-fluoro-4-methylpenta-1,3-diene?
The IUPAC name of 1-ethoxy-1-fluoro-4-methylpenta-1,3-diene (CID 87088576) is 1-ethoxy-1-fluoro-4-methylpenta-1,3-diene.
What is the SMILES notation for 1-ethoxy-1-fluoro-4-methylpenta-1,3-diene?
The canonical SMILES for 1-ethoxy-1-fluoro-4-methylpenta-1,3-diene is CCOC(F)=CC=C(C)C.
What is the InChIKey of 1-ethoxy-1-fluoro-4-methylpenta-1,3-diene?
The InChIKey is HDFQMOLQWLYWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-4-10-8(9)6-5-7(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethoxy-1-fluoro-4-methylpenta-1,3-diene?
1-ethoxy-1-fluoro-4-methylpenta-1,3-diene has a molecular weight of 144.19 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-fluoro-4-methylpenta-1,3-diene is sourced from PubChem (CID 87088576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).