4-(1-chloroethyl)morpholine

C6H12ClNO — CID 22226923

IUPAC4-(1-chloroethyl)morpholine
SMILESCC(Cl)N1CCOCC1
InChIInChI=1S/C6H12ClNO/c1-6(7)8-2-4-9-5-3-8/h6H,2-5H2,1H3
InChIKeyBDBZZEQQOPYNGH-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.90
Rot. Bonds1

About 4-(1-chloroethyl)morpholine

4-(1-chloroethyl)morpholine (PubChem CID 22226923) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 4-(1-chloroethyl)morpholine.

Molecular Properties

Compound Name4-(1-chloroethyl)morpholine
PubChem CID22226923
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name4-(1-chloroethyl)morpholine
SMILESCC(Cl)N1CCOCC1
InChIInChI=1S/C6H12ClNO/c1-6(7)8-2-4-9-5-3-8/h6H,2-5H2,1H3
InChIKeyBDBZZEQQOPYNGH-UHFFFAOYSA-N
XLogP0.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.90
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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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)morpholine?
The IUPAC name of 4-(1-chloroethyl)morpholine (CID 22226923) is 4-(1-chloroethyl)morpholine.
What is the SMILES notation for 4-(1-chloroethyl)morpholine?
The canonical SMILES for 4-(1-chloroethyl)morpholine is CC(Cl)N1CCOCC1.
What is the InChIKey of 4-(1-chloroethyl)morpholine?
The InChIKey is BDBZZEQQOPYNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-6(7)8-2-4-9-5-3-8/h6H,2-5H2,1H3.
What are the key properties of 4-(1-chloroethyl)morpholine?
4-(1-chloroethyl)morpholine has a molecular weight of 149.62 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)morpholine is sourced from PubChem (CID 22226923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).