6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride

C7H8ClFN2O3S — CID 172639129

IUPAC6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
SMILESCC1(F)COc2c(S(=O)(=O)Cl)cnn2C1
InChIInChI=1S/C7H8ClFN2O3S/c1-7(9)3-11-6(14-4-7)5(2-10-11)15(8,12)13/h2H,3-4H2,1H3
InChIKeyWFWNPQIPNPQADE-UHFFFAOYSA-N
MW254.67 g/mol
LogP0.93
Rot. Bonds1

About 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride

6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride (PubChem CID 172639129) has the molecular formula C7H8ClFN2O3S and a molecular weight of 254.67 g/mol. Its IUPAC name is 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
PubChem CID172639129
Molecular FormulaC7H8ClFN2O3S
Molecular Weight254.67 g/mol
Exact Mass253.99
IUPAC Name6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
SMILESCC1(F)COc2c(S(=O)(=O)Cl)cnn2C1
InChIInChI=1S/C7H8ClFN2O3S/c1-7(9)3-11-6(14-4-7)5(2-10-11)15(8,12)13/h2H,3-4H2,1H3
InChIKeyWFWNPQIPNPQADE-UHFFFAOYSA-N
XLogP0.93
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The IUPAC name of 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride (CID 172639129) is 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride.
What is the SMILES notation for 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The canonical SMILES for 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride is CC1(F)COc2c(S(=O)(=O)Cl)cnn2C1.
What is the InChIKey of 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The InChIKey is WFWNPQIPNPQADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O3S/c1-7(9)3-11-6(14-4-7)5(2-10-11)15(8,12)13/h2H,3-4H2,1H3.
What are the key properties of 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride has a molecular weight of 254.67 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride is sourced from PubChem (CID 172639129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).