4-(2,3-dichloropropyl)morpholine

C7H13Cl2NO — CID 3039554

IUPAC4-(2,3-dichloropropyl)morpholine
SMILESClCC(Cl)CN1CCOCC1
InChIInChI=1S/C7H13Cl2NO/c8-5-7(9)6-10-1-3-11-4-2-10/h7H,1-6H2
InChIKeyDOCPGGHOKXWARI-UHFFFAOYSA-N
MW198.09 g/mol
LogP1.16
Rot. Bonds3

About 4-(2,3-dichloropropyl)morpholine

4-(2,3-dichloropropyl)morpholine (PubChem CID 3039554) has the molecular formula C7H13Cl2NO and a molecular weight of 198.09 g/mol. Its IUPAC name is 4-(2,3-dichloropropyl)morpholine.

Molecular Properties

Compound Name4-(2,3-dichloropropyl)morpholine
PubChem CID3039554
Molecular FormulaC7H13Cl2NO
Molecular Weight198.09 g/mol
Exact Mass197.04
IUPAC Name4-(2,3-dichloropropyl)morpholine
SMILESClCC(Cl)CN1CCOCC1
InChIInChI=1S/C7H13Cl2NO/c8-5-7(9)6-10-1-3-11-4-2-10/h7H,1-6H2
InChIKeyDOCPGGHOKXWARI-UHFFFAOYSA-N
XLogP1.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 51.16
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-(2,3-dichloropropyl)morpholine?
The IUPAC name of 4-(2,3-dichloropropyl)morpholine (CID 3039554) is 4-(2,3-dichloropropyl)morpholine.
What is the SMILES notation for 4-(2,3-dichloropropyl)morpholine?
The canonical SMILES for 4-(2,3-dichloropropyl)morpholine is ClCC(Cl)CN1CCOCC1.
What is the InChIKey of 4-(2,3-dichloropropyl)morpholine?
The InChIKey is DOCPGGHOKXWARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NO/c8-5-7(9)6-10-1-3-11-4-2-10/h7H,1-6H2.
What are the key properties of 4-(2,3-dichloropropyl)morpholine?
4-(2,3-dichloropropyl)morpholine has a molecular weight of 198.09 g/mol, XLogP of 1.16, 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 is sourced from PubChem (CID 3039554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).