3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine

C15H12Cl2FN — CID 58007052

IUPAC3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine
SMILESCC1(c2ccc(Cl)cc2)NC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H12Cl2FN/c1-15(10-3-5-11(16)6-4-10)14(19-15)9-2-7-12(17)13(18)8-9/h2-8,14,19H,1H3
InChIKeyYPJAPERMOKSTKJ-UHFFFAOYSA-N
MW296.17 g/mol
LogP4.69
Rot. Bonds2

About 3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine

3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine (PubChem CID 58007052) has the molecular formula C15H12Cl2FN and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine
PubChem CID58007052
Molecular FormulaC15H12Cl2FN
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine
SMILESCC1(c2ccc(Cl)cc2)NC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H12Cl2FN/c1-15(10-3-5-11(16)6-4-10)14(19-15)9-2-7-12(17)13(18)8-9/h2-8,14,19H,1H3
InChIKeyYPJAPERMOKSTKJ-UHFFFAOYSA-N
XLogP4.69
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine (CID 58007052) is 3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine is CC1(c2ccc(Cl)cc2)NC1c1ccc(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine?
The InChIKey is YPJAPERMOKSTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN/c1-15(10-3-5-11(16)6-4-10)14(19-15)9-2-7-12(17)13(18)8-9/h2-8,14,19H,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine?
3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine has a molecular weight of 296.17 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine is sourced from PubChem (CID 58007052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).