4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine

C15H12ClF3N2O2 — CID 4524989

IUPAC4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine
SMILESFc1nc(N2CCOCC2)c(F)c(Oc2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H12ClF3N2O2/c16-9-1-3-10(4-2-9)23-13-11(17)14(19)20-15(12(13)18)21-5-7-22-8-6-21/h1-4H,5-8H2
InChIKeyNQDUTINJZRLVAR-UHFFFAOYSA-N
MW344.72 g/mol
LogP3.78
Rot. Bonds3

About 4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine

4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine (PubChem CID 4524989) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine
PubChem CID4524989
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine
SMILESFc1nc(N2CCOCC2)c(F)c(Oc2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H12ClF3N2O2/c16-9-1-3-10(4-2-9)23-13-11(17)14(19)20-15(12(13)18)21-5-7-22-8-6-21/h1-4H,5-8H2
InChIKeyNQDUTINJZRLVAR-UHFFFAOYSA-N
XLogP3.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine (CID 4524989) is 4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine is Fc1nc(N2CCOCC2)c(F)c(Oc2ccc(Cl)cc2)c1F.
What is the InChIKey of 4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine?
The InChIKey is NQDUTINJZRLVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-9-1-3-10(4-2-9)23-13-11(17)14(19)20-15(12(13)18)21-5-7-22-8-6-21/h1-4H,5-8H2.
What are the key properties of 4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine?
4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine has a molecular weight of 344.72 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine is sourced from PubChem (CID 4524989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).