4-(2-chloroethyl)morpholine;dihydrochloride

C6H14Cl3NO — CID 19911307

IUPAC4-(2-chloroethyl)morpholine;dihydrochloride
SMILESCl.Cl.ClCCN1CCOCC1
InChIInChI=1S/C6H12ClNO.2ClH/c7-1-2-8-3-5-9-6-4-8;;/h1-6H2;2*1H
InChIKeyHSVBBMVPUBBHFX-UHFFFAOYSA-N
MW222.54 g/mol
LogP1.40
Rot. Bonds2

About 4-(2-chloroethyl)morpholine;dihydrochloride

4-(2-chloroethyl)morpholine;dihydrochloride (PubChem CID 19911307) has the molecular formula C6H14Cl3NO and a molecular weight of 222.54 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;dihydrochloride.

Molecular Properties

Compound Name4-(2-chloroethyl)morpholine;dihydrochloride
PubChem CID19911307
Molecular FormulaC6H14Cl3NO
Molecular Weight222.54 g/mol
Exact Mass221.01
IUPAC Name4-(2-chloroethyl)morpholine;dihydrochloride
SMILESCl.Cl.ClCCN1CCOCC1
InChIInChI=1S/C6H12ClNO.2ClH/c7-1-2-8-3-5-9-6-4-8;;/h1-6H2;2*1H
InChIKeyHSVBBMVPUBBHFX-UHFFFAOYSA-N
XLogP1.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.54
LogP ≤ 51.40
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;dihydrochloride?
The IUPAC name of 4-(2-chloroethyl)morpholine;dihydrochloride (CID 19911307) is 4-(2-chloroethyl)morpholine;dihydrochloride.
What is the SMILES notation for 4-(2-chloroethyl)morpholine;dihydrochloride?
The canonical SMILES for 4-(2-chloroethyl)morpholine;dihydrochloride is Cl.Cl.ClCCN1CCOCC1.
What is the InChIKey of 4-(2-chloroethyl)morpholine;dihydrochloride?
The InChIKey is HSVBBMVPUBBHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO.2ClH/c7-1-2-8-3-5-9-6-4-8;;/h1-6H2;2*1H.
What are the key properties of 4-(2-chloroethyl)morpholine;dihydrochloride?
4-(2-chloroethyl)morpholine;dihydrochloride has a molecular weight of 222.54 g/mol, XLogP of 1.40, 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;dihydrochloride is sourced from PubChem (CID 19911307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).