3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole

C7H10F2N2O2 — CID 166500557

IUPAC3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole
SMILESCC(C)c1nonc1COC(F)F
InChIInChI=1S/C7H10F2N2O2/c1-4(2)6-5(10-13-11-6)3-12-7(8)9/h4,7H,3H2,1-2H3
InChIKeyIMAKWHBYMGMFLK-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.93
Rot. Bonds4

About 3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole

3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole (PubChem CID 166500557) has the molecular formula C7H10F2N2O2 and a molecular weight of 192.16 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole
PubChem CID166500557
Molecular FormulaC7H10F2N2O2
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole
SMILESCC(C)c1nonc1COC(F)F
InChIInChI=1S/C7H10F2N2O2/c1-4(2)6-5(10-13-11-6)3-12-7(8)9/h4,7H,3H2,1-2H3
InChIKeyIMAKWHBYMGMFLK-UHFFFAOYSA-N
XLogP1.93
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Tert-butyl-4-(difluoromethoxymethyl)-1,2,5-oxadiazole
CID 168729851
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-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole?
The IUPAC name of 3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole (CID 166500557) is 3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole.
What is the SMILES notation for 3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole?
The canonical SMILES for 3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole is CC(C)c1nonc1COC(F)F.
What is the InChIKey of 3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole?
The InChIKey is IMAKWHBYMGMFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2/c1-4(2)6-5(10-13-11-6)3-12-7(8)9/h4,7H,3H2,1-2H3.
What are the key properties of 3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole?
3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole has a molecular weight of 192.16 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-4-propan-2-yl-1,2,5-oxadiazole is sourced from PubChem (CID 166500557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).