3,5-dichloro-4-propan-2-ylmorpholine

C7H13Cl2NO — CID 70207780

IUPAC3,5-dichloro-4-propan-2-ylmorpholine
SMILESCC(C)N1C(Cl)COCC1Cl
InChIInChI=1S/C7H13Cl2NO/c1-5(2)10-6(8)3-11-4-7(10)9/h5-7H,3-4H2,1-2H3
InChIKeyRTWSHOUZVJJBBY-UHFFFAOYSA-N
MW198.09 g/mol
LogP1.86
Rot. Bonds1

About 3,5-dichloro-4-propan-2-ylmorpholine

3,5-dichloro-4-propan-2-ylmorpholine (PubChem CID 70207780) has the molecular formula C7H13Cl2NO and a molecular weight of 198.09 g/mol. Its IUPAC name is 3,5-dichloro-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name3,5-dichloro-4-propan-2-ylmorpholine
PubChem CID70207780
Molecular FormulaC7H13Cl2NO
Molecular Weight198.09 g/mol
Exact Mass197.04
IUPAC Name3,5-dichloro-4-propan-2-ylmorpholine
SMILESCC(C)N1C(Cl)COCC1Cl
InChIInChI=1S/C7H13Cl2NO/c1-5(2)10-6(8)3-11-4-7(10)9/h5-7H,3-4H2,1-2H3
InChIKeyRTWSHOUZVJJBBY-UHFFFAOYSA-N
XLogP1.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 51.86
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 3,5-dichloro-4-propan-2-ylmorpholine?
The IUPAC name of 3,5-dichloro-4-propan-2-ylmorpholine (CID 70207780) is 3,5-dichloro-4-propan-2-ylmorpholine.
What is the SMILES notation for 3,5-dichloro-4-propan-2-ylmorpholine?
The canonical SMILES for 3,5-dichloro-4-propan-2-ylmorpholine is CC(C)N1C(Cl)COCC1Cl.
What is the InChIKey of 3,5-dichloro-4-propan-2-ylmorpholine?
The InChIKey is RTWSHOUZVJJBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NO/c1-5(2)10-6(8)3-11-4-7(10)9/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,5-dichloro-4-propan-2-ylmorpholine?
3,5-dichloro-4-propan-2-ylmorpholine has a molecular weight of 198.09 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-propan-2-ylmorpholine is sourced from PubChem (CID 70207780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).