3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole

C9H5F3N2O — CID 146811154

IUPAC3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
SMILESCc1noc(-c2c(F)cc(F)cc2F)n1
InChIInChI=1S/C9H5F3N2O/c1-4-13-9(15-14-4)8-6(11)2-5(10)3-7(8)12/h2-3H,1H3
InChIKeySABZHASLOWKNMN-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.46
Rot. Bonds1

About 3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole

3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole (PubChem CID 146811154) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
PubChem CID146811154
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
SMILESCc1noc(-c2c(F)cc(F)cc2F)n1
InChIInChI=1S/C9H5F3N2O/c1-4-13-9(15-14-4)8-6(11)2-5(10)3-7(8)12/h2-3H,1H3
InChIKeySABZHASLOWKNMN-UHFFFAOYSA-N
XLogP2.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole (CID 146811154) is 3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole is Cc1noc(-c2c(F)cc(F)cc2F)n1.
What is the InChIKey of 3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole?
The InChIKey is SABZHASLOWKNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c1-4-13-9(15-14-4)8-6(11)2-5(10)3-7(8)12/h2-3H,1H3.
What are the key properties of 3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole?
3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole has a molecular weight of 214.15 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 146811154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).