1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine

C9H9ClFNO — CID 54171977

IUPAC1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine
SMILESCON=C(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-6(12-13-2)7-3-4-9(11)8(10)5-7/h3-5H,1-2H3
InChIKeyOVQPSDLFMIQGJQ-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.85
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine

1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine (PubChem CID 54171977) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine
PubChem CID54171977
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine
SMILESCON=C(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-6(12-13-2)7-3-4-9(11)8(10)5-7/h3-5H,1-2H3
InChIKeyOVQPSDLFMIQGJQ-UHFFFAOYSA-N
XLogP2.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine (CID 54171977) is 1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine is CON=C(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine?
The InChIKey is OVQPSDLFMIQGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-6(12-13-2)7-3-4-9(11)8(10)5-7/h3-5H,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine?
1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine has a molecular weight of 201.63 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methoxyethanimine is sourced from PubChem (CID 54171977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).