1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one

C8H10F2N2O3 — CID 63345053

IUPAC1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCOCCc1noc(CC(=O)C(F)F)n1
InChIInChI=1S/C8H10F2N2O3/c1-14-3-2-6-11-7(15-12-6)4-5(13)8(9)10/h8H,2-4H2,1H3
InChIKeyCVASZWJAZNARBT-UHFFFAOYSA-N
MW220.17 g/mol
LogP0.64
Rot. Bonds6

About 1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one

1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 63345053) has the molecular formula C8H10F2N2O3 and a molecular weight of 220.17 g/mol. Its IUPAC name is 1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID63345053
Molecular FormulaC8H10F2N2O3
Molecular Weight220.17 g/mol
Exact Mass220.07
IUPAC Name1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCOCCc1noc(CC(=O)C(F)F)n1
InChIInChI=1S/C8H10F2N2O3/c1-14-3-2-6-11-7(15-12-6)4-5(13)8(9)10/h8H,2-4H2,1H3
InChIKeyCVASZWJAZNARBT-UHFFFAOYSA-N
XLogP0.64
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 63345053) is 1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one is COCCc1noc(CC(=O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is CVASZWJAZNARBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O3/c1-14-3-2-6-11-7(15-12-6)4-5(13)8(9)10/h8H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 220.17 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 63345053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).