1-(4-fluoro-2-methylphenyl)ethanimine

C9H10FN — CID 118373171

IUPAC1-(4-fluoro-2-methylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(F)cc1C
InChIInChI=1S/C9H10FN/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5,11H,1-2H3/b11-7+
InChIKeyPGJHECIPUHXAAA-YRNVUSSQSA-N
MW151.18 g/mol
LogP2.52
Rot. Bonds1

About 1-(4-fluoro-2-methylphenyl)ethanimine

1-(4-fluoro-2-methylphenyl)ethanimine (PubChem CID 118373171) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)ethanimine
PubChem CID118373171
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name1-(4-fluoro-2-methylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(F)cc1C
InChIInChI=1S/C9H10FN/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5,11H,1-2H3/b11-7+
InChIKeyPGJHECIPUHXAAA-YRNVUSSQSA-N
XLogP2.52
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.52
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-(4-fluoro-2-methylphenyl)ethanimine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)ethanimine (CID 118373171) is 1-(4-fluoro-2-methylphenyl)ethanimine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)ethanimine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)ethanimine is [H]/N=C(\C)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)ethanimine?
The InChIKey is PGJHECIPUHXAAA-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10FN/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5,11H,1-2H3/b11-7+.
What are the key properties of 1-(4-fluoro-2-methylphenyl)ethanimine?
1-(4-fluoro-2-methylphenyl)ethanimine has a molecular weight of 151.18 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)ethanimine is sourced from PubChem (CID 118373171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).