2-chloro-2-fluoro-1,3-diphenylaziridine

C14H11ClFN — CID 23265826

IUPAC2-chloro-2-fluoro-1,3-diphenylaziridine
SMILESFC1(Cl)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C14H11ClFN/c15-14(16)13(11-7-3-1-4-8-11)17(14)12-9-5-2-6-10-12/h1-10,13H
InChIKeyDFSMZBXBQOVAJB-UHFFFAOYSA-N
MW247.70 g/mol
LogP4.11
Rot. Bonds2

About 2-chloro-2-fluoro-1,3-diphenylaziridine

2-chloro-2-fluoro-1,3-diphenylaziridine (PubChem CID 23265826) has the molecular formula C14H11ClFN and a molecular weight of 247.70 g/mol. Its IUPAC name is 2-chloro-2-fluoro-1,3-diphenylaziridine.

Molecular Properties

Compound Name2-chloro-2-fluoro-1,3-diphenylaziridine
PubChem CID23265826
Molecular FormulaC14H11ClFN
Molecular Weight247.70 g/mol
Exact Mass247.06
IUPAC Name2-chloro-2-fluoro-1,3-diphenylaziridine
SMILESFC1(Cl)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C14H11ClFN/c15-14(16)13(11-7-3-1-4-8-11)17(14)12-9-5-2-6-10-12/h1-10,13H
InChIKeyDFSMZBXBQOVAJB-UHFFFAOYSA-N
XLogP4.11
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-1,3-diphenylaziridine?
The IUPAC name of 2-chloro-2-fluoro-1,3-diphenylaziridine (CID 23265826) is 2-chloro-2-fluoro-1,3-diphenylaziridine.
What is the SMILES notation for 2-chloro-2-fluoro-1,3-diphenylaziridine?
The canonical SMILES for 2-chloro-2-fluoro-1,3-diphenylaziridine is FC1(Cl)C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 2-chloro-2-fluoro-1,3-diphenylaziridine?
The InChIKey is DFSMZBXBQOVAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN/c15-14(16)13(11-7-3-1-4-8-11)17(14)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of 2-chloro-2-fluoro-1,3-diphenylaziridine?
2-chloro-2-fluoro-1,3-diphenylaziridine has a molecular weight of 247.70 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-1,3-diphenylaziridine is sourced from PubChem (CID 23265826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).