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

C11H9F3N2O2 — CID 115079288

IUPAC2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESOCCc1noc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)8-4-2-1-3-7(8)10-15-9(5-6-17)16-18-10/h1-4,17H,5-6H2
InChIKeyJKXSQLGOUGEFQH-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.29
Rot. Bonds3

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

2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 115079288) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID115079288
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESOCCc1noc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)8-4-2-1-3-7(8)10-15-9(5-6-17)16-18-10/h1-4,17H,5-6H2
InChIKeyJKXSQLGOUGEFQH-UHFFFAOYSA-N
XLogP2.29
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 115079288) is 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol is OCCc1noc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is JKXSQLGOUGEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)8-4-2-1-3-7(8)10-15-9(5-6-17)16-18-10/h1-4,17H,5-6H2.
What are the key properties of 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 258.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 115079288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).