1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine

C11H12FN — CID 126701033

IUPAC1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(C(=C)C)cc1F
InChIInChI=1S/C11H12FN/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-6,13H,1H2,2-3H3/b13-8+
InChIKeyPCHGXDGSLVEVOK-MDWZMJQESA-N
MW177.22 g/mol
LogP3.25
Rot. Bonds2

About 1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine

1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine (PubChem CID 126701033) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine.

Molecular Properties

Compound Name1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine
PubChem CID126701033
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(C(=C)C)cc1F
InChIInChI=1S/C11H12FN/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-6,13H,1H2,2-3H3/b13-8+
InChIKeyPCHGXDGSLVEVOK-MDWZMJQESA-N
XLogP3.25
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine?
The IUPAC name of 1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine (CID 126701033) is 1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine.
What is the SMILES notation for 1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine?
The canonical SMILES for 1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine is [H]/N=C(\C)c1ccc(C(=C)C)cc1F.
What is the InChIKey of 1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine?
The InChIKey is PCHGXDGSLVEVOK-MDWZMJQESA-N. The full InChI is InChI=1S/C11H12FN/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-6,13H,1H2,2-3H3/b13-8+.
What are the key properties of 1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine?
1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine has a molecular weight of 177.22 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine is sourced from PubChem (CID 126701033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).