3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one

C8H8F2N2O2 — CID 63346499

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
SMILESO=C(Cc1nc(C2CC2)no1)C(F)F
InChIInChI=1S/C8H8F2N2O2/c9-7(10)5(13)3-6-11-8(12-14-6)4-1-2-4/h4,7H,1-3H2
InChIKeyHXUZILFVKXEMFC-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.32
Rot. Bonds4

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one (PubChem CID 63346499) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
PubChem CID63346499
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
SMILESO=C(Cc1nc(C2CC2)no1)C(F)F
InChIInChI=1S/C8H8F2N2O2/c9-7(10)5(13)3-6-11-8(12-14-6)4-1-2-4/h4,7H,1-3H2
InChIKeyHXUZILFVKXEMFC-UHFFFAOYSA-N
XLogP1.32
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one (CID 63346499) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one is O=C(Cc1nc(C2CC2)no1)C(F)F.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
The InChIKey is HXUZILFVKXEMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-7(10)5(13)3-6-11-8(12-14-6)4-1-2-4/h4,7H,1-3H2.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one has a molecular weight of 202.16 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one is sourced from PubChem (CID 63346499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).