2-(dichloromethyl)-4-methylmorpholine

C6H11Cl2NO — CID 139654530

IUPAC2-(dichloromethyl)-4-methylmorpholine
SMILESCN1CCOC(C(Cl)Cl)C1
InChIInChI=1S/C6H11Cl2NO/c1-9-2-3-10-5(4-9)6(7)8/h5-6H,2-4H2,1H3
InChIKeyYRESUOVMACFXKQ-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.12
Rot. Bonds1

About 2-(dichloromethyl)-4-methylmorpholine

2-(dichloromethyl)-4-methylmorpholine (PubChem CID 139654530) has the molecular formula C6H11Cl2NO and a molecular weight of 184.07 g/mol. Its IUPAC name is 2-(dichloromethyl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(dichloromethyl)-4-methylmorpholine
PubChem CID139654530
Molecular FormulaC6H11Cl2NO
Molecular Weight184.07 g/mol
Exact Mass183.02
IUPAC Name2-(dichloromethyl)-4-methylmorpholine
SMILESCN1CCOC(C(Cl)Cl)C1
InChIInChI=1S/C6H11Cl2NO/c1-9-2-3-10-5(4-9)6(7)8/h5-6H,2-4H2,1H3
InChIKeyYRESUOVMACFXKQ-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(dichloromethyl)-4-methylmorpholine?
The IUPAC name of 2-(dichloromethyl)-4-methylmorpholine (CID 139654530) is 2-(dichloromethyl)-4-methylmorpholine.
What is the SMILES notation for 2-(dichloromethyl)-4-methylmorpholine?
The canonical SMILES for 2-(dichloromethyl)-4-methylmorpholine is CN1CCOC(C(Cl)Cl)C1.
What is the InChIKey of 2-(dichloromethyl)-4-methylmorpholine?
The InChIKey is YRESUOVMACFXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NO/c1-9-2-3-10-5(4-9)6(7)8/h5-6H,2-4H2,1H3.
What are the key properties of 2-(dichloromethyl)-4-methylmorpholine?
2-(dichloromethyl)-4-methylmorpholine has a molecular weight of 184.07 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-4-methylmorpholine is sourced from PubChem (CID 139654530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).