(1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene

C8H13FO — CID 87088575

IUPAC(1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene
SMILESCCO/C(F)=C\C=C(C)C
InChIInChI=1S/C8H13FO/c1-4-10-8(9)6-5-7(2)3/h5-6H,4H2,1-3H3/b8-6-
InChIKeyHDFQMOLQWLYWSB-VURMDHGXSA-N
MW144.19 g/mol
LogP2.80
Rot. Bonds3

About (1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene

(1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene (PubChem CID 87088575) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is (1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name(1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene
PubChem CID87088575
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene
SMILESCCO/C(F)=C\C=C(C)C
InChIInChI=1S/C8H13FO/c1-4-10-8(9)6-5-7(2)3/h5-6H,4H2,1-3H3/b8-6-
InChIKeyHDFQMOLQWLYWSB-VURMDHGXSA-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 (1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene?
The IUPAC name of (1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene (CID 87088575) is (1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene.
What is the SMILES notation for (1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene?
The canonical SMILES for (1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene is CCO/C(F)=C\C=C(C)C.
What is the InChIKey of (1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene?
The InChIKey is HDFQMOLQWLYWSB-VURMDHGXSA-N. The full InChI is InChI=1S/C8H13FO/c1-4-10-8(9)6-5-7(2)3/h5-6H,4H2,1-3H3/b8-6-.
What are the key properties of (1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene?
(1E)-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 (1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene is sourced from PubChem (CID 87088575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).