4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid

C10H15F2NO5S — CID 166418888

IUPAC4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid
SMILESCC(F)(F)C(=O)N1CC(C(=O)O)S(=O)(=O)C(C)(C)C1
InChIInChI=1S/C10H15F2NO5S/c1-9(2)5-13(8(16)10(3,11)12)4-6(7(14)15)19(9,17)18/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyDGRLWRBFQWRBTN-UHFFFAOYSA-N
MW299.30 g/mol
LogP0.13
Rot. Bonds2

About 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid

4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid (PubChem CID 166418888) has the molecular formula C10H15F2NO5S and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid
PubChem CID166418888
Molecular FormulaC10H15F2NO5S
Molecular Weight299.30 g/mol
Exact Mass299.06
IUPAC Name4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid
SMILESCC(F)(F)C(=O)N1CC(C(=O)O)S(=O)(=O)C(C)(C)C1
InChIInChI=1S/C10H15F2NO5S/c1-9(2)5-13(8(16)10(3,11)12)4-6(7(14)15)19(9,17)18/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyDGRLWRBFQWRBTN-UHFFFAOYSA-N
XLogP0.13
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid?
The IUPAC name of 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid (CID 166418888) is 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid is CC(F)(F)C(=O)N1CC(C(=O)O)S(=O)(=O)C(C)(C)C1.
What is the InChIKey of 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid?
The InChIKey is DGRLWRBFQWRBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO5S/c1-9(2)5-13(8(16)10(3,11)12)4-6(7(14)15)19(9,17)18/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid?
4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid has a molecular weight of 299.30 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropanoyl)-6,6-dimethyl-1,1-dioxo-1,4-thiazinane-2-carboxylic acid is sourced from PubChem (CID 166418888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).