1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid

C14H14F4N4O3 — CID 167887297

IUPAC1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid
SMILESFc1ccccc1OCc1cn(C2CNC2)nn1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H13FN4O.C2HF3O2/c13-11-3-1-2-4-12(11)18-8-9-7-17(16-15-9)10-5-14-6-10;3-2(4,5)1(6)7/h1-4,7,10,14H,5-6,8H2;(H,6,7)
InChIKeyPZNOMNLGUUIABW-UHFFFAOYSA-N
MW362.28 g/mol
LogP1.77
Rot. Bonds4

About 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid

1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid (PubChem CID 167887297) has the molecular formula C14H14F4N4O3 and a molecular weight of 362.28 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid
PubChem CID167887297
Molecular FormulaC14H14F4N4O3
Molecular Weight362.28 g/mol
Exact Mass362.10
IUPAC Name1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid
SMILESFc1ccccc1OCc1cn(C2CNC2)nn1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H13FN4O.C2HF3O2/c13-11-3-1-2-4-12(11)18-8-9-7-17(16-15-9)10-5-14-6-10;3-2(4,5)1(6)7/h1-4,7,10,14H,5-6,8H2;(H,6,7)
InChIKeyPZNOMNLGUUIABW-UHFFFAOYSA-N
XLogP1.77
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid (CID 167887297) is 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid is Fc1ccccc1OCc1cn(C2CNC2)nn1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid?
The InChIKey is PZNOMNLGUUIABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O.C2HF3O2/c13-11-3-1-2-4-12(11)18-8-9-7-17(16-15-9)10-5-14-6-10;3-2(4,5)1(6)7/h1-4,7,10,14H,5-6,8H2;(H,6,7).
What are the key properties of 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid?
1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid has a molecular weight of 362.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[(2-fluorophenoxy)methyl]triazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167887297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).