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

C8H12F2N2O2 — CID 168729851

IUPAC3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole
SMILESCC(C)(C)c1nonc1COC(F)F
InChIInChI=1S/C8H12F2N2O2/c1-8(2,3)6-5(11-14-12-6)4-13-7(9)10/h7H,4H2,1-3H3
InChIKeyBMJVYAARTLMMRX-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.11
Rot. Bonds3

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

3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole (PubChem CID 168729851) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole
PubChem CID168729851
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole
SMILESCC(C)(C)c1nonc1COC(F)F
InChIInChI=1S/C8H12F2N2O2/c1-8(2,3)6-5(11-14-12-6)4-13-7(9)10/h7H,4H2,1-3H3
InChIKeyBMJVYAARTLMMRX-UHFFFAOYSA-N
XLogP2.11
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole
CID 166500557
3-Tert-butyl-4-(1-fluoroethoxymethyl)-1,2,5-oxadiazole
CID 170023616
3-(2,2-Difluoroethyl)-4-(methoxymethyl)-1,2,5-oxadiazole
CID 178822621
3-(Difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole
CID 157031769
3-(Difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane
CID 157031768

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole?
The IUPAC name of 3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole (CID 168729851) is 3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole?
The canonical SMILES for 3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole is CC(C)(C)c1nonc1COC(F)F.
What is the InChIKey of 3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole?
The InChIKey is BMJVYAARTLMMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c1-8(2,3)6-5(11-14-12-6)4-13-7(9)10/h7H,4H2,1-3H3.
What are the key properties of 3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole?
3-tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole has a molecular weight of 206.19 g/mol, XLogP of 2.11, 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-(difluoromethoxymethyl)-1,2,5-oxadiazole is sourced from PubChem (CID 168729851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).