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

C7H6F6N2O2 — CID 55201449

IUPAC1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESOC(Cc1nc(CC(F)(F)F)no1)C(F)(F)F
InChIInChI=1S/C7H6F6N2O2/c8-6(9,10)2-4-14-5(17-15-4)1-3(16)7(11,12)13/h3,16H,1-2H2
InChIKeyOTELHIRPKBMCOD-UHFFFAOYSA-N
MW264.12 g/mol
LogP1.64
Rot. Bonds3

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

1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 55201449) has the molecular formula C7H6F6N2O2 and a molecular weight of 264.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID55201449
Molecular FormulaC7H6F6N2O2
Molecular Weight264.12 g/mol
Exact Mass264.03
IUPAC Name1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESOC(Cc1nc(CC(F)(F)F)no1)C(F)(F)F
InChIInChI=1S/C7H6F6N2O2/c8-6(9,10)2-4-14-5(17-15-4)1-3(16)7(11,12)13/h3,16H,1-2H2
InChIKeyOTELHIRPKBMCOD-UHFFFAOYSA-N
XLogP1.64
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 55201449) is 1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is OC(Cc1nc(CC(F)(F)F)no1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is OTELHIRPKBMCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6N2O2/c8-6(9,10)2-4-14-5(17-15-4)1-3(16)7(11,12)13/h3,16H,1-2H2.
What are the key properties of 1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 264.12 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 55201449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).