1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine

C10H10Cl2FNO — CID 86679080

IUPAC1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine
SMILESCON=C(CF)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2FNO/c1-15-14-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-3,5H,4,6H2,1H3
InChIKeyQIRDAEVKTDGLOL-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.51
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine

1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine (PubChem CID 86679080) has the molecular formula C10H10Cl2FNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine
PubChem CID86679080
Molecular FormulaC10H10Cl2FNO
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine
SMILESCON=C(CF)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2FNO/c1-15-14-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-3,5H,4,6H2,1H3
InChIKeyQIRDAEVKTDGLOL-UHFFFAOYSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.51
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-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine (CID 86679080) is 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine is CON=C(CF)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine?
The InChIKey is QIRDAEVKTDGLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO/c1-15-14-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-3,5H,4,6H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine?
1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine has a molecular weight of 250.10 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-fluoro-N-methoxypropan-2-imine is sourced from PubChem (CID 86679080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).