3-chloro-4-(2-chloroethyl)morpholine

C6H11Cl2NO — CID 67408175

IUPAC3-chloro-4-(2-chloroethyl)morpholine
SMILESClCCN1CCOCC1Cl
InChIInChI=1S/C6H11Cl2NO/c7-1-2-9-3-4-10-5-6(9)8/h6H,1-5H2
InChIKeyPUFHPUNTMOJNAF-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.12
Rot. Bonds2

About 3-chloro-4-(2-chloroethyl)morpholine

3-chloro-4-(2-chloroethyl)morpholine (PubChem CID 67408175) has the molecular formula C6H11Cl2NO and a molecular weight of 184.07 g/mol. Its IUPAC name is 3-chloro-4-(2-chloroethyl)morpholine.

Molecular Properties

Compound Name3-chloro-4-(2-chloroethyl)morpholine
PubChem CID67408175
Molecular FormulaC6H11Cl2NO
Molecular Weight184.07 g/mol
Exact Mass183.02
IUPAC Name3-chloro-4-(2-chloroethyl)morpholine
SMILESClCCN1CCOCC1Cl
InChIInChI=1S/C6H11Cl2NO/c7-1-2-9-3-4-10-5-6(9)8/h6H,1-5H2
InChIKeyPUFHPUNTMOJNAF-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}, {'alert_name': 'N-C-halo', '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
Morpholine, 4-(2-chloroethyl)-, 4-oxide
CID 3062986
4-(3-Chloropropyl)morpholinium chloride
CID 12296283
4-(2-Chloroethyl)morpholin-4-ium chloride
CID 45925701
4,4-Bis(2-chloroethyl)morpholin-4-ium chloride
CID 116304
4-(2,3-Dichloropropyl)morpholine--hydrogen chloride (1/1)
CID 3039553
4-(Chloromethyl)morpholine hydrochloride
CID 17770237
4-(2-Chloropropyl)morpholine hydrochloride
CID 71758071
4-(2-Chloropropyl)morpholine
CID 15104445
4-(Chloromethyl)morpholine
CID 12331083

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloroethyl)morpholine?
The IUPAC name of 3-chloro-4-(2-chloroethyl)morpholine (CID 67408175) is 3-chloro-4-(2-chloroethyl)morpholine.
What is the SMILES notation for 3-chloro-4-(2-chloroethyl)morpholine?
The canonical SMILES for 3-chloro-4-(2-chloroethyl)morpholine is ClCCN1CCOCC1Cl.
What is the InChIKey of 3-chloro-4-(2-chloroethyl)morpholine?
The InChIKey is PUFHPUNTMOJNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NO/c7-1-2-9-3-4-10-5-6(9)8/h6H,1-5H2.
What are the key properties of 3-chloro-4-(2-chloroethyl)morpholine?
3-chloro-4-(2-chloroethyl)morpholine has a molecular weight of 184.07 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloroethyl)morpholine is sourced from PubChem (CID 67408175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).