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

C5H5F3N2O2 — CID 103594655

IUPAC1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2O2/c1-2(11)3-9-4(12-10-3)5(6,7)8/h2,11H,1H3
InChIKeyKCZZLNRNTVIJNU-UHFFFAOYSA-N
MW182.10 g/mol
LogP1.14
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 103594655) has the molecular formula C5H5F3N2O2 and a molecular weight of 182.10 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID103594655
Molecular FormulaC5H5F3N2O2
Molecular Weight182.10 g/mol
Exact Mass182.03
IUPAC Name1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2O2/c1-2(11)3-9-4(12-10-3)5(6,7)8/h2,11H,1H3
InChIKeyKCZZLNRNTVIJNU-UHFFFAOYSA-N
XLogP1.14
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-bromoethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 132849221
2,4-dimethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-amine
CID 114201057
1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75525832
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]octan-1-amine
CID 43559931
(4-propan-2-yloxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 60916940
1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104632785
2-propoxy-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634345
(4-iodophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 114283080
2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 130605155
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835
(1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 83091773
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 43559962

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 103594655) is 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol is CC(O)c1noc(C(F)(F)F)n1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is KCZZLNRNTVIJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2/c1-2(11)3-9-4(12-10-3)5(6,7)8/h2,11H,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 182.10 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 103594655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).