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

C14H15F3N4O — CID 122441078

IUPAC4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine
SMILESFC(F)(F)c1ccc(Cn2cc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)12-3-1-11(2-4-12)9-21-10-13(18-19-21)20-5-7-22-8-6-20/h1-4,10H,5-9H2
InChIKeyGBFUCXHZDOSYPW-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.18
Rot. Bonds3

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

4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine (PubChem CID 122441078) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine
PubChem CID122441078
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine
SMILESFC(F)(F)c1ccc(Cn2cc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)12-3-1-11(2-4-12)9-21-10-13(18-19-21)20-5-7-22-8-6-20/h1-4,10H,5-9H2
InChIKeyGBFUCXHZDOSYPW-UHFFFAOYSA-N
XLogP2.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684096
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 76684208
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 90269112
1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76683779
(2R)-4-[(2,6-difluorophenyl)methyl]-2-(triazol-1-ylmethyl)morpholine
CID 164636772
1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76684566
4-[1-[(4-Fluorophenyl)methyl]triazol-4-yl]morpholine
CID 122441028
1-[(2,6-difluorophenyl)methyl]-N,N-dimethyltriazol-4-amine
CID 122441029
4-[1-[(2,6-Difluorophenyl)methyl]triazol-4-yl]morpholine
CID 122441032
N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine
CID 122441038
1-[1-[(2,6-Difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine
CID 122441042
2-({1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}amino)ethan-1-ol
CID 122441044

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine?
The IUPAC name of 4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine (CID 122441078) is 4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine.
What is the SMILES notation for 4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine?
The canonical SMILES for 4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine is FC(F)(F)c1ccc(Cn2cc(N3CCOCC3)nn2)cc1.
What is the InChIKey of 4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine?
The InChIKey is GBFUCXHZDOSYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c15-14(16,17)12-3-1-11(2-4-12)9-21-10-13(18-19-21)20-5-7-22-8-6-20/h1-4,10H,5-9H2.
What are the key properties of 4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine?
4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine has a molecular weight of 312.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]morpholine is sourced from PubChem (CID 122441078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).