[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol

C9H5F3N2O2 — CID 91535856

IUPAC[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2c(F)cc(F)cc2F)no1
InChIInChI=1S/C9H5F3N2O2/c10-4-1-5(11)8(6(12)2-4)9-13-7(3-15)16-14-9/h1-2,15H,3H2
InChIKeyNHZSYNYTLCLBBE-UHFFFAOYSA-N
MW230.14 g/mol
LogP1.65
Rot. Bonds2

About [3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol

[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 91535856) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.14 g/mol. Its IUPAC name is [3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID91535856
Molecular FormulaC9H5F3N2O2
Molecular Weight230.14 g/mol
Exact Mass230.03
IUPAC Name[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2c(F)cc(F)cc2F)no1
InChIInChI=1S/C9H5F3N2O2/c10-4-1-5(11)8(6(12)2-4)9-13-7(3-15)16-14-9/h1-2,15H,3H2
InChIKeyNHZSYNYTLCLBBE-UHFFFAOYSA-N
XLogP1.65
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol (CID 91535856) is [3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(-c2c(F)cc(F)cc2F)no1.
What is the InChIKey of [3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is NHZSYNYTLCLBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-4-1-5(11)8(6(12)2-4)9-13-7(3-15)16-14-9/h1-2,15H,3H2.
What are the key properties of [3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 230.14 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 91535856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).