4-(2-chloroethyl)morpholine;hydron;chloride

C6H13Cl2NO — CID 67037488

IUPAC4-(2-chloroethyl)morpholine;hydron;chloride
SMILESClCCN1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H
InChIKeyNBJHDLKSWUDGJG-UHFFFAOYSA-N
MW186.08 g/mol
LogP-2.33
Rot. Bonds2

About 4-(2-chloroethyl)morpholine;hydron;chloride

4-(2-chloroethyl)morpholine;hydron;chloride (PubChem CID 67037488) has the molecular formula C6H13Cl2NO and a molecular weight of 186.08 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;hydron;chloride.

Molecular Properties

Compound Name4-(2-chloroethyl)morpholine;hydron;chloride
PubChem CID67037488
Molecular FormulaC6H13Cl2NO
Molecular Weight186.08 g/mol
Exact Mass185.04
IUPAC Name4-(2-chloroethyl)morpholine;hydron;chloride
SMILESClCCN1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H
InChIKeyNBJHDLKSWUDGJG-UHFFFAOYSA-N
XLogP-2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 5-2.33
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 4-(2-chloroethyl)morpholine;hydron;chloride?
The IUPAC name of 4-(2-chloroethyl)morpholine;hydron;chloride (CID 67037488) is 4-(2-chloroethyl)morpholine;hydron;chloride.
What is the SMILES notation for 4-(2-chloroethyl)morpholine;hydron;chloride?
The canonical SMILES for 4-(2-chloroethyl)morpholine;hydron;chloride is ClCCN1CCOCC1.[Cl-].[H+].
What is the InChIKey of 4-(2-chloroethyl)morpholine;hydron;chloride?
The InChIKey is NBJHDLKSWUDGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H.
What are the key properties of 4-(2-chloroethyl)morpholine;hydron;chloride?
4-(2-chloroethyl)morpholine;hydron;chloride has a molecular weight of 186.08 g/mol, XLogP of -2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)morpholine;hydron;chloride is sourced from PubChem (CID 67037488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).