4-(2-chloroethyl)morpholine chloride

C6H12Cl2NO- — CID 43822568

IUPAC4-(2-chloroethyl)morpholine chloride
SMILESClCCN1CCOCC1.[Cl-]
InChIInChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H/p-1
InChIKeyNBJHDLKSWUDGJG-UHFFFAOYSA-M
MW185.07 g/mol
LogP-2.44
Rot. Bonds2

About 4-(2-chloroethyl)morpholine chloride

4-(2-chloroethyl)morpholine chloride (PubChem CID 43822568) has the molecular formula C6H12Cl2NO- and a molecular weight of 185.07 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine chloride.

Molecular Properties

Compound Name4-(2-chloroethyl)morpholine chloride
PubChem CID43822568
Molecular FormulaC6H12Cl2NO-
Molecular Weight185.07 g/mol
Exact Mass184.03
IUPAC Name4-(2-chloroethyl)morpholine chloride
SMILESClCCN1CCOCC1.[Cl-]
InChIInChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H/p-1
InChIKeyNBJHDLKSWUDGJG-UHFFFAOYSA-M
XLogP-2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.07
LogP ≤ 5-2.44
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 chloride?
The IUPAC name of 4-(2-chloroethyl)morpholine chloride (CID 43822568) is 4-(2-chloroethyl)morpholine chloride.
What is the SMILES notation for 4-(2-chloroethyl)morpholine chloride?
The canonical SMILES for 4-(2-chloroethyl)morpholine chloride is ClCCN1CCOCC1.[Cl-].
What is the InChIKey of 4-(2-chloroethyl)morpholine chloride?
The InChIKey is NBJHDLKSWUDGJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H/p-1.
What are the key properties of 4-(2-chloroethyl)morpholine chloride?
4-(2-chloroethyl)morpholine chloride has a molecular weight of 185.07 g/mol, XLogP of -2.44, 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 chloride is sourced from PubChem (CID 43822568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).