[4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol

C10H16F3N3O3 — CID 103213630

IUPAC[4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1CCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O3/c1-18-5-3-16-8(14-15-9(16)6-17)2-4-19-7-10(11,12)13/h17H,2-7H2,1H3
InChIKeyAUSXGWLUEHCSJU-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.54
Rot. Bonds8

About [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol

[4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 103213630) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
PubChem CID103213630
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name[4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1CCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O3/c1-18-5-3-16-8(14-15-9(16)6-17)2-4-19-7-10(11,12)13/h17H,2-7H2,1H3
InChIKeyAUSXGWLUEHCSJU-UHFFFAOYSA-N
XLogP0.54
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol 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 [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol (CID 103213630) is [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1CCOCC(F)(F)F.
What is the InChIKey of [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is AUSXGWLUEHCSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c1-18-5-3-16-8(14-15-9(16)6-17)2-4-19-7-10(11,12)13/h17H,2-7H2,1H3.
What are the key properties of [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
[4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 283.25 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103213630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).