3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine

C15H12ClF2N — CID 142700428

IUPAC3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine
SMILESCC1(c2ccc(F)c(F)c2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF2N/c1-15(10-4-7-12(17)13(18)8-10)14(19-15)9-2-5-11(16)6-3-9/h2-8,14,19H,1H3
InChIKeyDMPZVQBVHFDGMW-UHFFFAOYSA-N
MW279.72 g/mol
LogP4.18
Rot. Bonds2

About 3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine

3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine (PubChem CID 142700428) has the molecular formula C15H12ClF2N and a molecular weight of 279.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine
PubChem CID142700428
Molecular FormulaC15H12ClF2N
Molecular Weight279.72 g/mol
Exact Mass279.06
IUPAC Name3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine
SMILESCC1(c2ccc(F)c(F)c2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF2N/c1-15(10-4-7-12(17)13(18)8-10)14(19-15)9-2-5-11(16)6-3-9/h2-8,14,19H,1H3
InChIKeyDMPZVQBVHFDGMW-UHFFFAOYSA-N
XLogP4.18
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 54.18
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-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine (CID 142700428) is 3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine is CC1(c2ccc(F)c(F)c2)NC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine?
The InChIKey is DMPZVQBVHFDGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N/c1-15(10-4-7-12(17)13(18)8-10)14(19-15)9-2-5-11(16)6-3-9/h2-8,14,19H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine?
3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine has a molecular weight of 279.72 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine is sourced from PubChem (CID 142700428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).