2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole

C8H13FN2O — CID 170396208

IUPAC2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(C(C)F)o1
InChIInChI=1S/C8H13FN2O/c1-5(2)4-7-10-11-8(12-7)6(3)9/h5-6H,4H2,1-3H3
InChIKeyJGLIOPYSEQVPEB-UHFFFAOYSA-N
MW172.20 g/mol
LogP2.30
Rot. Bonds3

About 2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole

2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole (PubChem CID 170396208) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
PubChem CID170396208
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(C(C)F)o1
InChIInChI=1S/C8H13FN2O/c1-5(2)4-7-10-11-8(12-7)6(3)9/h5-6H,4H2,1-3H3
InChIKeyJGLIOPYSEQVPEB-UHFFFAOYSA-N
XLogP2.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole (CID 170396208) is 2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole is CC(C)Cc1nnc(C(C)F)o1.
What is the InChIKey of 2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The InChIKey is JGLIOPYSEQVPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-5(2)4-7-10-11-8(12-7)6(3)9/h5-6H,4H2,1-3H3.
What are the key properties of 2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole has a molecular weight of 172.20 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 170396208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).