1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine

C10H9Cl2FN2 — CID 83079225

IUPAC1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H9Cl2FN2/c11-7-4-6(13)5-8(12)10(7)15-3-1-2-9(15)14/h4-5,14H,1-3H2/b14-9+
InChIKeyWEKAZAAYSHBZAY-NTEUORMPSA-N
MW247.10 g/mol
LogP3.71
Rot. Bonds1

About 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine

1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine (PubChem CID 83079225) has the molecular formula C10H9Cl2FN2 and a molecular weight of 247.10 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine
PubChem CID83079225
Molecular FormulaC10H9Cl2FN2
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H9Cl2FN2/c11-7-4-6(13)5-8(12)10(7)15-3-1-2-9(15)14/h4-5,14H,1-3H2/b14-9+
InChIKeyWEKAZAAYSHBZAY-NTEUORMPSA-N
XLogP3.71
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 53.71
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-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine (CID 83079225) is 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine?
The InChIKey is WEKAZAAYSHBZAY-NTEUORMPSA-N. The full InChI is InChI=1S/C10H9Cl2FN2/c11-7-4-6(13)5-8(12)10(7)15-3-1-2-9(15)14/h4-5,14H,1-3H2/b14-9+.
What are the key properties of 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine?
1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine has a molecular weight of 247.10 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-imine is sourced from PubChem (CID 83079225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).