3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine

C13H15FN4O — CID 118936026

IUPAC3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine
SMILESFc1cc(CC2COCCN2)cc(-n2nccn2)c1
InChIInChI=1S/C13H15FN4O/c14-11-5-10(6-12-9-19-4-3-15-12)7-13(8-11)18-16-1-2-17-18/h1-2,5,7-8,12,15H,3-4,6,9H2
InChIKeyXPZSUHSGWLMVAZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.94
Rot. Bonds3

About 3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine

3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine (PubChem CID 118936026) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine
PubChem CID118936026
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine
SMILESFc1cc(CC2COCCN2)cc(-n2nccn2)c1
InChIInChI=1S/C13H15FN4O/c14-11-5-10(6-12-9-19-4-3-15-12)7-13(8-11)18-16-1-2-17-18/h1-2,5,7-8,12,15H,3-4,6,9H2
InChIKeyXPZSUHSGWLMVAZ-UHFFFAOYSA-N
XLogP0.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine?
The IUPAC name of 3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine (CID 118936026) is 3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine?
The canonical SMILES for 3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine is Fc1cc(CC2COCCN2)cc(-n2nccn2)c1.
What is the InChIKey of 3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine?
The InChIKey is XPZSUHSGWLMVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-11-5-10(6-12-9-19-4-3-15-12)7-13(8-11)18-16-1-2-17-18/h1-2,5,7-8,12,15H,3-4,6,9H2.
What are the key properties of 3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine?
3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine has a molecular weight of 262.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 118936026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).