6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid

C8H8F2N2O3 — CID 150202601

IUPAC6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
SMILESCC1Oc2cc(C(=O)O)nn2CC1(F)F
InChIInChI=1S/C8H8F2N2O3/c1-4-8(9,10)3-12-6(15-4)2-5(11-12)7(13)14/h2,4H,3H2,1H3,(H,13,14)
InChIKeyFPUPWLFIVBSMLZ-UHFFFAOYSA-N
MW218.16 g/mol
LogP1.00
Rot. Bonds1

About 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid

6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid (PubChem CID 150202601) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
PubChem CID150202601
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
SMILESCC1Oc2cc(C(=O)O)nn2CC1(F)F
InChIInChI=1S/C8H8F2N2O3/c1-4-8(9,10)3-12-6(15-4)2-5(11-12)7(13)14/h2,4H,3H2,1H3,(H,13,14)
InChIKeyFPUPWLFIVBSMLZ-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The IUPAC name of 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid (CID 150202601) is 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid.
What is the SMILES notation for 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The canonical SMILES for 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid is CC1Oc2cc(C(=O)O)nn2CC1(F)F.
What is the InChIKey of 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The InChIKey is FPUPWLFIVBSMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-4-8(9,10)3-12-6(15-4)2-5(11-12)7(13)14/h2,4H,3H2,1H3,(H,13,14).
What are the key properties of 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid has a molecular weight of 218.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid is sourced from PubChem (CID 150202601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).