4-(2,3,4-trichlorophenyl)morpholine

C10H10Cl3NO — CID 162419389

IUPAC4-(2,3,4-trichlorophenyl)morpholine
SMILESClc1ccc(N2CCOCC2)c(Cl)c1Cl
InChIInChI=1S/C10H10Cl3NO/c11-7-1-2-8(10(13)9(7)12)14-3-5-15-6-4-14/h1-2H,3-6H2
InChIKeyTYPGQVPLFUTHBK-UHFFFAOYSA-N
MW266.55 g/mol
LogP3.48
Rot. Bonds1

About 4-(2,3,4-trichlorophenyl)morpholine

4-(2,3,4-trichlorophenyl)morpholine (PubChem CID 162419389) has the molecular formula C10H10Cl3NO and a molecular weight of 266.55 g/mol. Its IUPAC name is 4-(2,3,4-trichlorophenyl)morpholine.

Molecular Properties

Compound Name4-(2,3,4-trichlorophenyl)morpholine
PubChem CID162419389
Molecular FormulaC10H10Cl3NO
Molecular Weight266.55 g/mol
Exact Mass264.98
IUPAC Name4-(2,3,4-trichlorophenyl)morpholine
SMILESClc1ccc(N2CCOCC2)c(Cl)c1Cl
InChIInChI=1S/C10H10Cl3NO/c11-7-1-2-8(10(13)9(7)12)14-3-5-15-6-4-14/h1-2H,3-6H2
InChIKeyTYPGQVPLFUTHBK-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trichlorophenyl)morpholine?
The IUPAC name of 4-(2,3,4-trichlorophenyl)morpholine (CID 162419389) is 4-(2,3,4-trichlorophenyl)morpholine.
What is the SMILES notation for 4-(2,3,4-trichlorophenyl)morpholine?
The canonical SMILES for 4-(2,3,4-trichlorophenyl)morpholine is Clc1ccc(N2CCOCC2)c(Cl)c1Cl.
What is the InChIKey of 4-(2,3,4-trichlorophenyl)morpholine?
The InChIKey is TYPGQVPLFUTHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c11-7-1-2-8(10(13)9(7)12)14-3-5-15-6-4-14/h1-2H,3-6H2.
What are the key properties of 4-(2,3,4-trichlorophenyl)morpholine?
4-(2,3,4-trichlorophenyl)morpholine has a molecular weight of 266.55 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trichlorophenyl)morpholine is sourced from PubChem (CID 162419389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).