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

C15H17F3N4O — CID 50852594

IUPAC4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine
SMILESFC(F)(F)c1ccc(-c2cn(CCN3CCOCC3)nn2)cc1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)13-3-1-12(2-4-13)14-11-22(20-19-14)6-5-21-7-9-23-10-8-21/h1-4,11H,5-10H2
InChIKeyZNKNOLLOALJMPE-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.30
Rot. Bonds4

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

4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine (PubChem CID 50852594) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine
PubChem CID50852594
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine
SMILESFC(F)(F)c1ccc(-c2cn(CCN3CCOCC3)nn2)cc1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)13-3-1-12(2-4-13)14-11-22(20-19-14)6-5-21-7-9-23-10-8-21/h1-4,11H,5-10H2
InChIKeyZNKNOLLOALJMPE-UHFFFAOYSA-N
XLogP2.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine (CID 50852594) is 4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine is FC(F)(F)c1ccc(-c2cn(CCN3CCOCC3)nn2)cc1.
What is the InChIKey of 4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine?
The InChIKey is ZNKNOLLOALJMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)13-3-1-12(2-4-13)14-11-22(20-19-14)6-5-21-7-9-23-10-8-21/h1-4,11H,5-10H2.
What are the key properties of 4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine?
4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine has a molecular weight of 326.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 50852594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).