2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine

C18H17FN4O — CID 78140574

IUPAC2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine
SMILESFc1ccc(-n2cc(-c3ccc(C4CNCCO4)cc3)nn2)cc1
InChIInChI=1S/C18H17FN4O/c19-15-5-7-16(8-6-15)23-12-17(21-22-23)13-1-3-14(4-2-13)18-11-20-9-10-24-18/h1-8,12,18,20H,9-11H2
InChIKeyRWUOAMGBYFXZNG-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine

2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine (PubChem CID 78140574) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine.

Molecular Properties

Compound Name2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine
PubChem CID78140574
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine
SMILESFc1ccc(-n2cc(-c3ccc(C4CNCCO4)cc3)nn2)cc1
InChIInChI=1S/C18H17FN4O/c19-15-5-7-16(8-6-15)23-12-17(21-22-23)13-1-3-14(4-2-13)18-11-20-9-10-24-18/h1-8,12,18,20H,9-11H2
InChIKeyRWUOAMGBYFXZNG-UHFFFAOYSA-N
XLogP2.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine?
The IUPAC name of 2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine (CID 78140574) is 2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine.
What is the SMILES notation for 2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine?
The canonical SMILES for 2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine is Fc1ccc(-n2cc(-c3ccc(C4CNCCO4)cc3)nn2)cc1.
What is the InChIKey of 2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine?
The InChIKey is RWUOAMGBYFXZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-15-5-7-16(8-6-15)23-12-17(21-22-23)13-1-3-14(4-2-13)18-11-20-9-10-24-18/h1-8,12,18,20H,9-11H2.
What are the key properties of 2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine?
2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine has a molecular weight of 324.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine is sourced from PubChem (CID 78140574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).