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

C7H9F3N2O2 — CID 55220293

IUPAC1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C7H9F3N2O2/c1-4(13)2-6-11-5(12-14-6)3-7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyAYCCGMLFOPJJIJ-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.10
Rot. Bonds3

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

1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 55220293) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID55220293
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C7H9F3N2O2/c1-4(13)2-6-11-5(12-14-6)3-7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyAYCCGMLFOPJJIJ-UHFFFAOYSA-N
XLogP1.10
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 55220293) is 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(O)Cc1nc(CC(F)(F)F)no1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is AYCCGMLFOPJJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-4(13)2-6-11-5(12-14-6)3-7(8,9)10/h4,13H,2-3H2,1H3.
What are the key properties of 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 210.15 g/mol, XLogP of 1.10, 3 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]propan-2-ol is sourced from PubChem (CID 55220293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).