(2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid

C10H8FNO4S — CID 174227174

IUPAC(2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid
SMILESO=C(O)N1[C@H]2c3c(F)cccc3C[C@H]2O[S@]1=O
InChIInChI=1S/C10H8FNO4S/c11-6-3-1-2-5-4-7-9(8(5)6)12(10(13)14)17(15)16-7/h1-3,7,9H,4H2,(H,13,14)/t7-,9-,17-/m1/s1
InChIKeyHHCRQHMSLYMGJA-MFEDJLCLSA-N
MW257.24 g/mol
LogP1.38
Rot. Bonds

About (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid

(2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid (PubChem CID 174227174) has the molecular formula C10H8FNO4S and a molecular weight of 257.24 g/mol. Its IUPAC name is (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid.

Molecular Properties

Compound Name(2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid
PubChem CID174227174
Molecular FormulaC10H8FNO4S
Molecular Weight257.24 g/mol
Exact Mass257.02
IUPAC Name(2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid
SMILESO=C(O)N1[C@H]2c3c(F)cccc3C[C@H]2O[S@]1=O
InChIInChI=1S/C10H8FNO4S/c11-6-3-1-2-5-4-7-9(8(5)6)12(10(13)14)17(15)16-7/h1-3,7,9H,4H2,(H,13,14)/t7-,9-,17-/m1/s1
InChIKeyHHCRQHMSLYMGJA-MFEDJLCLSA-N
XLogP1.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS-cis)-(-)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 10954036
(3aR-cis)-(+)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 11789720
1,3a,4,8b-Tetrahydroindeno[1,2-d]oxazol-2-one
CID 4377951
3-propionyl-(3aS-cis)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 10966336
3-propionyl-(3aR-cis)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 15145888
(3aR,8bS)-1-prop-2-ynyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole
CID 87574497
tert-butyl N-carbonofluoridoyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 88023942
[(1S,2R)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 150484947
tert-butyl (3aS,8bR)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylate
CID 164603579
(3aS,8bR)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid
CID 174227175
[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 174227180
(3aS,8bR)-8-fluoro-2,2-dioxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid
CID 174227190

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid?
The IUPAC name of (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid (CID 174227174) is (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid.
What is the SMILES notation for (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid?
The canonical SMILES for (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid is O=C(O)N1[C@H]2c3c(F)cccc3C[C@H]2O[S@]1=O.
What is the InChIKey of (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid?
The InChIKey is HHCRQHMSLYMGJA-MFEDJLCLSA-N. The full InChI is InChI=1S/C10H8FNO4S/c11-6-3-1-2-5-4-7-9(8(5)6)12(10(13)14)17(15)16-7/h1-3,7,9H,4H2,(H,13,14)/t7-,9-,17-/m1/s1.
What are the key properties of (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid?
(2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid has a molecular weight of 257.24 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,8bS)-8-fluoro-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole-1-carboxylic acid is sourced from PubChem (CID 174227174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).