1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone

C9H10F2N2O2 — CID 166655079

IUPAC1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone
SMILESCC(=O)c1cc2n(n1)CCC(C(F)F)O2
InChIInChI=1S/C9H10F2N2O2/c1-5(14)6-4-8-13(12-6)3-2-7(15-8)9(10)11/h4,7,9H,2-3H2,1H3
InChIKeyHWPTYDMMJOEVSX-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.50
Rot. Bonds2

About 1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone

1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone (PubChem CID 166655079) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone
PubChem CID166655079
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone
SMILESCC(=O)c1cc2n(n1)CCC(C(F)F)O2
InChIInChI=1S/C9H10F2N2O2/c1-5(14)6-4-8-13(12-6)3-2-7(15-8)9(10)11/h4,7,9H,2-3H2,1H3
InChIKeyHWPTYDMMJOEVSX-UHFFFAOYSA-N
XLogP1.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone?
The IUPAC name of 1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone (CID 166655079) is 1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone.
What is the SMILES notation for 1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone?
The canonical SMILES for 1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone is CC(=O)c1cc2n(n1)CCC(C(F)F)O2.
What is the InChIKey of 1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone?
The InChIKey is HWPTYDMMJOEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-5(14)6-4-8-13(12-6)3-2-7(15-8)9(10)11/h4,7,9H,2-3H2,1H3.
What are the key properties of 1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone?
1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone has a molecular weight of 216.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]ethanone is sourced from PubChem (CID 166655079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).