4-(2,3-dichloropropyl)morpholine;hydrochloride

C7H14Cl3NO — CID 3039553

IUPAC4-(2,3-dichloropropyl)morpholine;hydrochloride
SMILESCl.ClCC(Cl)CN1CCOCC1
InChIInChI=1S/C7H13Cl2NO.ClH/c8-5-7(9)6-10-1-3-11-4-2-10;/h7H,1-6H2;1H
InChIKeyDBEPUGIAOXTMMQ-UHFFFAOYSA-N
MW234.55 g/mol
LogP1.59
Rot. Bonds3

About 4-(2,3-dichloropropyl)morpholine;hydrochloride

4-(2,3-dichloropropyl)morpholine;hydrochloride (PubChem CID 3039553) has the molecular formula C7H14Cl3NO and a molecular weight of 234.55 g/mol. Its IUPAC name is 4-(2,3-dichloropropyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dichloropropyl)morpholine;hydrochloride
PubChem CID3039553
Molecular FormulaC7H14Cl3NO
Molecular Weight234.55 g/mol
Exact Mass233.01
IUPAC Name4-(2,3-dichloropropyl)morpholine;hydrochloride
SMILESCl.ClCC(Cl)CN1CCOCC1
InChIInChI=1S/C7H13Cl2NO.ClH/c8-5-7(9)6-10-1-3-11-4-2-10;/h7H,1-6H2;1H
InChIKeyDBEPUGIAOXTMMQ-UHFFFAOYSA-N
XLogP1.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.55
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Morpholine, 4-(2-chloroethyl)-, hydrochloride (1:1)
CID 77210
4-(2-Chloroethyl)morpholine
CID 76727
4-(3-Chloropropyl)morpholine
CID 95834
4-(3-Chloropropyl)morpholinium chloride
CID 12296283
4,4-Bis(2-chloroethyl)morpholin-4-ium chloride
CID 116304
4-(4-Chlorobutyl)morpholine--hydrogen chloride (1/1)
CID 71310941
4-(2-Chloropropyl)morpholine hydrochloride
CID 71758071
4-(2-Chloropropyl)morpholine
CID 15104445
(s)-4-(1-Chloropropan-2-yl)morpholine
CID 51673805
4-(2-Chloroethyl)morpholinyl hydrochloride
CID 67408175
4-(2-Chloroethyl)morpholine;hydron;chloride
CID 67037488
4-(2-Chloroethyl)morpholine chloride hydrochloride
CID 129885611

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloropropyl)morpholine;hydrochloride?
The IUPAC name of 4-(2,3-dichloropropyl)morpholine;hydrochloride (CID 3039553) is 4-(2,3-dichloropropyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(2,3-dichloropropyl)morpholine;hydrochloride?
The canonical SMILES for 4-(2,3-dichloropropyl)morpholine;hydrochloride is Cl.ClCC(Cl)CN1CCOCC1.
What is the InChIKey of 4-(2,3-dichloropropyl)morpholine;hydrochloride?
The InChIKey is DBEPUGIAOXTMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NO.ClH/c8-5-7(9)6-10-1-3-11-4-2-10;/h7H,1-6H2;1H.
What are the key properties of 4-(2,3-dichloropropyl)morpholine;hydrochloride?
4-(2,3-dichloropropyl)morpholine;hydrochloride has a molecular weight of 234.55 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloropropyl)morpholine;hydrochloride is sourced from PubChem (CID 3039553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).