4-(2,3,5-trifluoro-4-pyridinyl)morpholine

C9H9F3N2O — CID 67770743

IUPAC4-(2,3,5-trifluoro-4-pyridinyl)morpholine
SMILESFc1cnc(F)c(F)c1N1CCOCC1
InChIInChI=1S/C9H9F3N2O/c10-6-5-13-9(12)7(11)8(6)14-1-3-15-4-2-14/h5H,1-4H2
InChIKeyCQUKHDJUTNKKIP-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.34
Rot. Bonds1

About 4-(2,3,5-trifluoro-4-pyridinyl)morpholine

4-(2,3,5-trifluoro-4-pyridinyl)morpholine (PubChem CID 67770743) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 4-(2,3,5-trifluoro-4-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(2,3,5-trifluoro-4-pyridinyl)morpholine
PubChem CID67770743
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name4-(2,3,5-trifluoro-4-pyridinyl)morpholine
SMILESFc1cnc(F)c(F)c1N1CCOCC1
InChIInChI=1S/C9H9F3N2O/c10-6-5-13-9(12)7(11)8(6)14-1-3-15-4-2-14/h5H,1-4H2
InChIKeyCQUKHDJUTNKKIP-UHFFFAOYSA-N
XLogP1.34
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,3,5-trifluoro-4-pyridinyl)morpholine?
The IUPAC name of 4-(2,3,5-trifluoro-4-pyridinyl)morpholine (CID 67770743) is 4-(2,3,5-trifluoro-4-pyridinyl)morpholine.
What is the SMILES notation for 4-(2,3,5-trifluoro-4-pyridinyl)morpholine?
The canonical SMILES for 4-(2,3,5-trifluoro-4-pyridinyl)morpholine is Fc1cnc(F)c(F)c1N1CCOCC1.
What is the InChIKey of 4-(2,3,5-trifluoro-4-pyridinyl)morpholine?
The InChIKey is CQUKHDJUTNKKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-6-5-13-9(12)7(11)8(6)14-1-3-15-4-2-14/h5H,1-4H2.
What are the key properties of 4-(2,3,5-trifluoro-4-pyridinyl)morpholine?
4-(2,3,5-trifluoro-4-pyridinyl)morpholine has a molecular weight of 218.18 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trifluoro-4-pyridinyl)morpholine is sourced from PubChem (CID 67770743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).