4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine

C10H10F3IN2O — CID 162764791

IUPAC4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESFC(F)(F)c1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C10H10F3IN2O/c11-10(12,13)8-5-7(14)6-9(15-8)16-1-3-17-4-2-16/h5-6H,1-4H2
InChIKeyDEDHWOJMFOIBBX-UHFFFAOYSA-N
MW358.10 g/mol
LogP2.54
Rot. Bonds1

About 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine

4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine (PubChem CID 162764791) has the molecular formula C10H10F3IN2O and a molecular weight of 358.10 g/mol. Its IUPAC name is 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
PubChem CID162764791
Molecular FormulaC10H10F3IN2O
Molecular Weight358.10 g/mol
Exact Mass357.98
IUPAC Name4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESFC(F)(F)c1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C10H10F3IN2O/c11-10(12,13)8-5-7(14)6-9(15-8)16-1-3-17-4-2-16/h5-6H,1-4H2
InChIKeyDEDHWOJMFOIBBX-UHFFFAOYSA-N
XLogP2.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.10
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine (CID 162764791) is 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine is FC(F)(F)c1cc(I)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine?
The InChIKey is DEDHWOJMFOIBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IN2O/c11-10(12,13)8-5-7(14)6-9(15-8)16-1-3-17-4-2-16/h5-6H,1-4H2.
What are the key properties of 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine?
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine has a molecular weight of 358.10 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 162764791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).