2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine

C12H14FNO — CID 88848971

IUPAC2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine
SMILES[H]/N=C(\COC(C)C=C)c1ccccc1F
InChIInChI=1S/C12H14FNO/c1-3-9(2)15-8-12(14)10-6-4-5-7-11(10)13/h3-7,9,14H,1,8H2,2H3/b14-12+
InChIKeyHATAWVGXYNTGBB-WYMLVPIESA-N
MW207.25 g/mol
LogP2.78
Rot. Bonds5

About 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine

2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine (PubChem CID 88848971) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine.

Molecular Properties

Compound Name2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine
PubChem CID88848971
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine
SMILES[H]/N=C(\COC(C)C=C)c1ccccc1F
InChIInChI=1S/C12H14FNO/c1-3-9(2)15-8-12(14)10-6-4-5-7-11(10)13/h3-7,9,14H,1,8H2,2H3/b14-12+
InChIKeyHATAWVGXYNTGBB-WYMLVPIESA-N
XLogP2.78
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine?
The IUPAC name of 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine (CID 88848971) is 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine.
What is the SMILES notation for 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine?
The canonical SMILES for 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine is [H]/N=C(\COC(C)C=C)c1ccccc1F.
What is the InChIKey of 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine?
The InChIKey is HATAWVGXYNTGBB-WYMLVPIESA-N. The full InChI is InChI=1S/C12H14FNO/c1-3-9(2)15-8-12(14)10-6-4-5-7-11(10)13/h3-7,9,14H,1,8H2,2H3/b14-12+.
What are the key properties of 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine?
2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine has a molecular weight of 207.25 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine is sourced from PubChem (CID 88848971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).