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

C7H10F3N3O2 — CID 62400537

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)5-15-2-1-13-3-6(4-14)11-12-13/h3,14H,1-2,4-5H2
InChIKeySITBBWCUIGXXLS-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.35
Rot. Bonds5

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

[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol (PubChem CID 62400537) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol
PubChem CID62400537
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)5-15-2-1-13-3-6(4-14)11-12-13/h3,14H,1-2,4-5H2
InChIKeySITBBWCUIGXXLS-UHFFFAOYSA-N
XLogP0.35
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol (CID 62400537) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol is OCc1cn(CCOCC(F)(F)F)nn1.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol?
The InChIKey is SITBBWCUIGXXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)5-15-2-1-13-3-6(4-14)11-12-13/h3,14H,1-2,4-5H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol has a molecular weight of 225.17 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 62400537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).