3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane

C8H14F2N2O2 — CID 157031768

IUPAC3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane
SMILESCC.CCc1nonc1COC(F)F
InChIInChI=1S/C6H8F2N2O2.C2H6/c1-2-4-5(10-12-9-4)3-11-6(7)8;1-2/h6H,2-3H2,1H3;1-2H3
InChIKeyYWTSGBCCZVAMPY-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.40
Rot. Bonds4

About 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane

3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane (PubChem CID 157031768) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane
PubChem CID157031768
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane
SMILESCC.CCc1nonc1COC(F)F
InChIInChI=1S/C6H8F2N2O2.C2H6/c1-2-4-5(10-12-9-4)3-11-6(7)8;1-2/h6H,2-3H2,1H3;1-2H3
InChIKeyYWTSGBCCZVAMPY-UHFFFAOYSA-N
XLogP2.40
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane?
The IUPAC name of 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane (CID 157031768) is 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane.
What is the SMILES notation for 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane?
The canonical SMILES for 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane is CC.CCc1nonc1COC(F)F.
What is the InChIKey of 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane?
The InChIKey is YWTSGBCCZVAMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O2.C2H6/c1-2-4-5(10-12-9-4)3-11-6(7)8;1-2/h6H,2-3H2,1H3;1-2H3.
What are the key properties of 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane?
3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane has a molecular weight of 208.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole;ethane is sourced from PubChem (CID 157031768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).