1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol

C6H7F3N2O2 — CID 63349418

IUPAC1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C6H7F3N2O2/c1-3(12)5-10-4(11-13-5)2-6(7,8)9/h3,12H,2H2,1H3
InChIKeyOVGUPQQJTNUKSZ-UHFFFAOYSA-N
MW196.13 g/mol
LogP1.23
Rot. Bonds2

About 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol

1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63349418) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63349418
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C6H7F3N2O2/c1-3(12)5-10-4(11-13-5)2-6(7,8)9/h3,12H,2H2,1H3
InChIKeyOVGUPQQJTNUKSZ-UHFFFAOYSA-N
XLogP1.23
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol 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-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 63349418) is 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(CC(F)(F)F)no1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is OVGUPQQJTNUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c1-3(12)5-10-4(11-13-5)2-6(7,8)9/h3,12H,2H2,1H3.
What are the key properties of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 196.13 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63349418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).