1-(2-fluorophenyl)ethanimine

C8H8FN — CID 88876350

IUPAC1-(2-fluorophenyl)ethanimine
SMILES[H]/N=C(\C)c1ccccc1F
InChIInChI=1S/C8H8FN/c1-6(10)7-4-2-3-5-8(7)9/h2-5,10H,1H3/b10-6+
InChIKeyLHISCDHJCGUZPB-UXBLZVDNSA-N
MW137.16 g/mol
LogP2.21
Rot. Bonds1

About 1-(2-fluorophenyl)ethanimine

1-(2-fluorophenyl)ethanimine (PubChem CID 88876350) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is 1-(2-fluorophenyl)ethanimine.

Molecular Properties

Compound Name1-(2-fluorophenyl)ethanimine
PubChem CID88876350
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name1-(2-fluorophenyl)ethanimine
SMILES[H]/N=C(\C)c1ccccc1F
InChIInChI=1S/C8H8FN/c1-6(10)7-4-2-3-5-8(7)9/h2-5,10H,1H3/b10-6+
InChIKeyLHISCDHJCGUZPB-UXBLZVDNSA-N
XLogP2.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 52.21
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-fluorophenyl)ethanimine?
The IUPAC name of 1-(2-fluorophenyl)ethanimine (CID 88876350) is 1-(2-fluorophenyl)ethanimine.
What is the SMILES notation for 1-(2-fluorophenyl)ethanimine?
The canonical SMILES for 1-(2-fluorophenyl)ethanimine is [H]/N=C(\C)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)ethanimine?
The InChIKey is LHISCDHJCGUZPB-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H8FN/c1-6(10)7-4-2-3-5-8(7)9/h2-5,10H,1H3/b10-6+.
What are the key properties of 1-(2-fluorophenyl)ethanimine?
1-(2-fluorophenyl)ethanimine has a molecular weight of 137.16 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)ethanimine is sourced from PubChem (CID 88876350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).