1-(3-chloro-4-fluorophenyl)ethanimine

C8H7ClFN — CID 126491422

IUPAC1-(3-chloro-4-fluorophenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFN/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4,11H,1H3/b11-5+
InChIKeyBDJUDVTVRUCDGL-VZUCSPMQSA-N
MW171.60 g/mol
LogP2.87
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)ethanimine

1-(3-chloro-4-fluorophenyl)ethanimine (PubChem CID 126491422) has the molecular formula C8H7ClFN and a molecular weight of 171.60 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)ethanimine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)ethanimine
PubChem CID126491422
Molecular FormulaC8H7ClFN
Molecular Weight171.60 g/mol
Exact Mass171.03
IUPAC Name1-(3-chloro-4-fluorophenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFN/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4,11H,1H3/b11-5+
InChIKeyBDJUDVTVRUCDGL-VZUCSPMQSA-N
XLogP2.87
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 52.87
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-(3-chloro-4-fluorophenyl)ethanimine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)ethanimine (CID 126491422) is 1-(3-chloro-4-fluorophenyl)ethanimine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)ethanimine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)ethanimine is [H]/N=C(\C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)ethanimine?
The InChIKey is BDJUDVTVRUCDGL-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7ClFN/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4,11H,1H3/b11-5+.
What are the key properties of 1-(3-chloro-4-fluorophenyl)ethanimine?
1-(3-chloro-4-fluorophenyl)ethanimine has a molecular weight of 171.60 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)ethanimine is sourced from PubChem (CID 126491422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).