aziridine;chloroform

C3H6Cl3N — CID 121434621

IUPACaziridine;chloroform
SMILESC1CN1.ClC(Cl)Cl
InChIInChI=1S/C2H5N.CHCl3/c1-2-3-1;2-1(3)4/h3H,1-2H2;1H
InChIKeyHONCCJHQZCVILS-UHFFFAOYSA-N
MW162.45 g/mol
LogP1.58
Rot. Bonds

About aziridine;chloroform

aziridine;chloroform (PubChem CID 121434621) has the molecular formula C3H6Cl3N and a molecular weight of 162.45 g/mol. Its IUPAC name is aziridine;chloroform.

Molecular Properties

Compound Nameaziridine;chloroform
PubChem CID121434621
Molecular FormulaC3H6Cl3N
Molecular Weight162.45 g/mol
Exact Mass160.96
IUPAC Nameaziridine;chloroform
SMILESC1CN1.ClC(Cl)Cl
InChIInChI=1S/C2H5N.CHCl3/c1-2-3-1;2-1(3)4/h3H,1-2H2;1H
InChIKeyHONCCJHQZCVILS-UHFFFAOYSA-N
XLogP1.58
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aziridine;chloroform?
The IUPAC name of aziridine;chloroform (CID 121434621) is aziridine;chloroform.
What is the SMILES notation for aziridine;chloroform?
The canonical SMILES for aziridine;chloroform is C1CN1.ClC(Cl)Cl.
What is the InChIKey of aziridine;chloroform?
The InChIKey is HONCCJHQZCVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N.CHCl3/c1-2-3-1;2-1(3)4/h3H,1-2H2;1H.
What are the key properties of aziridine;chloroform?
aziridine;chloroform has a molecular weight of 162.45 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine;chloroform is sourced from PubChem (CID 121434621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).