1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine

C9H15Cl2N — CID 130684323

IUPAC1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine
SMILESCC1CC(C)N1CC1CC1(Cl)Cl
InChIInChI=1S/C9H15Cl2N/c1-6-3-7(2)12(6)5-8-4-9(8,10)11/h6-8H,3-5H2,1-2H3
InChIKeyUOSKLZGCQSPRBX-UHFFFAOYSA-N
MW208.13 g/mol
LogP2.66
Rot. Bonds2

About 1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine

1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine (PubChem CID 130684323) has the molecular formula C9H15Cl2N and a molecular weight of 208.13 g/mol. Its IUPAC name is 1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine.

Molecular Properties

Compound Name1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine
PubChem CID130684323
Molecular FormulaC9H15Cl2N
Molecular Weight208.13 g/mol
Exact Mass207.06
IUPAC Name1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine
SMILESCC1CC(C)N1CC1CC1(Cl)Cl
InChIInChI=1S/C9H15Cl2N/c1-6-3-7(2)12(6)5-8-4-9(8,10)11/h6-8H,3-5H2,1-2H3
InChIKeyUOSKLZGCQSPRBX-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine?
The IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine (CID 130684323) is 1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine.
What is the SMILES notation for 1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine?
The canonical SMILES for 1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine is CC1CC(C)N1CC1CC1(Cl)Cl.
What is the InChIKey of 1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine?
The InChIKey is UOSKLZGCQSPRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2N/c1-6-3-7(2)12(6)5-8-4-9(8,10)11/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine?
1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine has a molecular weight of 208.13 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dichlorocyclopropyl)methyl]-2,4-dimethylazetidine is sourced from PubChem (CID 130684323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).