6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid

C11H12FNO2S — CID 84630019

IUPAC6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
SMILESCC1C(C(=O)O)Sc2ccc(F)cc2N1C
InChIInChI=1S/C11H12FNO2S/c1-6-10(11(14)15)16-9-4-3-7(12)5-8(9)13(6)2/h3-6,10H,1-2H3,(H,14,15)
InChIKeyNCYWAJIYJYHIDP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.21
Rot. Bonds1

About 6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid

6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid (PubChem CID 84630019) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
PubChem CID84630019
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Name6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
SMILESCC1C(C(=O)O)Sc2ccc(F)cc2N1C
InChIInChI=1S/C11H12FNO2S/c1-6-10(11(14)15)16-9-4-3-7(12)5-8(9)13(6)2/h3-6,10H,1-2H3,(H,14,15)
InChIKeyNCYWAJIYJYHIDP-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid?
The IUPAC name of 6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid (CID 84630019) is 6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid?
The canonical SMILES for 6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid is CC1C(C(=O)O)Sc2ccc(F)cc2N1C.
What is the InChIKey of 6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid?
The InChIKey is NCYWAJIYJYHIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c1-6-10(11(14)15)16-9-4-3-7(12)5-8(9)13(6)2/h3-6,10H,1-2H3,(H,14,15).
What are the key properties of 6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid?
6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid is sourced from PubChem (CID 84630019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).