3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole

C9H15FN2O2 — CID 170023616

IUPAC3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole
SMILESCC(F)OCc1nonc1C(C)(C)C
InChIInChI=1S/C9H15FN2O2/c1-6(10)13-5-7-8(9(2,3)4)12-14-11-7/h6H,5H2,1-4H3
InChIKeyOXWDHMQITHPGBF-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.20
Rot. Bonds3

About 3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole

3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole (PubChem CID 170023616) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole
PubChem CID170023616
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole
SMILESCC(F)OCc1nonc1C(C)(C)C
InChIInChI=1S/C9H15FN2O2/c1-6(10)13-5-7-8(9(2,3)4)12-14-11-7/h6H,5H2,1-4H3
InChIKeyOXWDHMQITHPGBF-UHFFFAOYSA-N
XLogP2.20
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole?
The IUPAC name of 3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole (CID 170023616) is 3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole?
The canonical SMILES for 3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole is CC(F)OCc1nonc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole?
The InChIKey is OXWDHMQITHPGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O2/c1-6(10)13-5-7-8(9(2,3)4)12-14-11-7/h6H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole?
3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole has a molecular weight of 202.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole is sourced from PubChem (CID 170023616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).