5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine

C8H16FNO — CID 54567908

IUPAC5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine
SMILESCCOCC=C(C)C(N)CF
InChIInChI=1S/C8H16FNO/c1-3-11-5-4-7(2)8(10)6-9/h4,8H,3,5-6,10H2,1-2H3
InChIKeyZVDIAPFQFYFUEA-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.27
Rot. Bonds5

About 5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine

5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine (PubChem CID 54567908) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine.

Molecular Properties

Compound Name5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine
PubChem CID54567908
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine
SMILESCCOCC=C(C)C(N)CF
InChIInChI=1S/C8H16FNO/c1-3-11-5-4-7(2)8(10)6-9/h4,8H,3,5-6,10H2,1-2H3
InChIKeyZVDIAPFQFYFUEA-UHFFFAOYSA-N
XLogP1.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine?
The IUPAC name of 5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine (CID 54567908) is 5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine.
What is the SMILES notation for 5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine?
The canonical SMILES for 5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine is CCOCC=C(C)C(N)CF.
What is the InChIKey of 5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine?
The InChIKey is ZVDIAPFQFYFUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-11-5-4-7(2)8(10)6-9/h4,8H,3,5-6,10H2,1-2H3.
What are the key properties of 5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine?
5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine has a molecular weight of 161.22 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine is sourced from PubChem (CID 54567908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).