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

C4H3F3N2O2 — CID 53401468

IUPAC[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N2O2/c5-4(6,7)3-8-2(1-10)9-11-3/h10H,1H2
InChIKeyWFPHXHFHXMQXDJ-UHFFFAOYSA-N
MW168.07 g/mol
LogP0.58
Rot. Bonds1

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

[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 53401468) has the molecular formula C4H3F3N2O2 and a molecular weight of 168.07 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID53401468
Molecular FormulaC4H3F3N2O2
Molecular Weight168.07 g/mol
Exact Mass168.01
IUPAC Name[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N2O2/c5-4(6,7)3-8-2(1-10)9-11-3/h10H,1H2
InChIKeyWFPHXHFHXMQXDJ-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 [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol (CID 53401468) is [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(C(F)(F)F)n1.
What is the InChIKey of [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is WFPHXHFHXMQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O2/c5-4(6,7)3-8-2(1-10)9-11-3/h10H,1H2.
What are the key properties of [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(trifluoromethyl)-1,2,4-oxadiazol-3-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 [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 53401468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).