1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone

C14H9ClFNO2 — CID 56611418

IUPAC1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(F)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H9ClFNO2/c15-10-2-4-11(5-3-10)19-14-7-9(13(18)8-17)1-6-12(14)16/h1-8,17H/b17-8+
InChIKeyLLLHGLVUQGCBAL-CAOOACKPSA-N
MW277.68 g/mol
LogP4.10
Rot. Bonds4

About 1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone

1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone (PubChem CID 56611418) has the molecular formula C14H9ClFNO2 and a molecular weight of 277.68 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone
PubChem CID56611418
Molecular FormulaC14H9ClFNO2
Molecular Weight277.68 g/mol
Exact Mass277.03
IUPAC Name1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(F)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H9ClFNO2/c15-10-2-4-11(5-3-10)19-14-7-9(13(18)8-17)1-6-12(14)16/h1-8,17H/b17-8+
InChIKeyLLLHGLVUQGCBAL-CAOOACKPSA-N
XLogP4.10
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone?
The IUPAC name of 1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone (CID 56611418) is 1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone?
The canonical SMILES for 1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone is [H]/N=C/C(=O)c1ccc(F)c(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone?
The InChIKey is LLLHGLVUQGCBAL-CAOOACKPSA-N. The full InChI is InChI=1S/C14H9ClFNO2/c15-10-2-4-11(5-3-10)19-14-7-9(13(18)8-17)1-6-12(14)16/h1-8,17H/b17-8+.
What are the key properties of 1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone?
1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone has a molecular weight of 277.68 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone is sourced from PubChem (CID 56611418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).