1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine

C10H10ClFN2 — CID 28969335

IUPAC1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1cccc(Cl)c1F
InChIInChI=1S/C10H10ClFN2/c11-7-3-1-4-8(10(7)12)14-6-2-5-9(14)13/h1,3-4,13H,2,5-6H2/b13-9+
InChIKeyKZLPQNUZIKKPMK-UKTHLTGXSA-N
MW212.66 g/mol
LogP3.06
Rot. Bonds1

About 1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine

1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine (PubChem CID 28969335) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine
PubChem CID28969335
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1cccc(Cl)c1F
InChIInChI=1S/C10H10ClFN2/c11-7-3-1-4-8(10(7)12)14-6-2-5-9(14)13/h1,3-4,13H,2,5-6H2/b13-9+
InChIKeyKZLPQNUZIKKPMK-UKTHLTGXSA-N
XLogP3.06
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 53.06
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-2-fluorophenyl)pyrrolidin-2-imine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine (CID 28969335) is 1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine?
The InChIKey is KZLPQNUZIKKPMK-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H10ClFN2/c11-7-3-1-4-8(10(7)12)14-6-2-5-9(14)13/h1,3-4,13H,2,5-6H2/b13-9+.
What are the key properties of 1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine?
1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine has a molecular weight of 212.66 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)pyrrolidin-2-imine is sourced from PubChem (CID 28969335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).