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

C4H3F3N2O2 — CID 56763752

IUPAC[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(C(F)(F)F)no1
InChIInChI=1S/C4H3F3N2O2/c5-4(6,7)3-8-2(1-10)11-9-3/h10H,1H2
InChIKeyXSBJPDRLQJPUNB-UHFFFAOYSA-N
MW168.07 g/mol
LogP0.58
Rot. Bonds1

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

[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 56763752) has the molecular formula C4H3F3N2O2 and a molecular weight of 168.07 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID56763752
Molecular FormulaC4H3F3N2O2
Molecular Weight168.07 g/mol
Exact Mass168.01
IUPAC Name[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(C(F)(F)F)no1
InChIInChI=1S/C4H3F3N2O2/c5-4(6,7)3-8-2(1-10)11-9-3/h10H,1H2
InChIKeyXSBJPDRLQJPUNB-UHFFFAOYSA-N
XLogP0.58
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.07
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol (CID 56763752) is [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(C(F)(F)F)no1.
What is the InChIKey of [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is XSBJPDRLQJPUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O2/c5-4(6,7)3-8-2(1-10)11-9-3/h10H,1H2.
What are the key properties of [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 168.07 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 56763752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).