ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate

C10H10FNO4S — CID 22419897

IUPACethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate
SMILESCCOC(=O)N1c2cc(F)ccc2CS1(=O)=O
InChIInChI=1S/C10H10FNO4S/c1-2-16-10(13)12-9-5-8(11)4-3-7(9)6-17(12,14)15/h3-5H,2,6H2,1H3
InChIKeyBDOJHYOVVTZSBL-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.63
Rot. Bonds1

About ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate

ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate (PubChem CID 22419897) has the molecular formula C10H10FNO4S and a molecular weight of 259.26 g/mol. Its IUPAC name is ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate
PubChem CID22419897
Molecular FormulaC10H10FNO4S
Molecular Weight259.26 g/mol
Exact Mass259.03
IUPAC Nameethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate
SMILESCCOC(=O)N1c2cc(F)ccc2CS1(=O)=O
InChIInChI=1S/C10H10FNO4S/c1-2-16-10(13)12-9-5-8(11)4-3-7(9)6-17(12,14)15/h3-5H,2,6H2,1H3
InChIKeyBDOJHYOVVTZSBL-UHFFFAOYSA-N
XLogP1.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-hydroxy-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate
CID 11425382
6-fluoro-1-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-3H-2,1-benzothiazole 2,2-dioxide
CID 138056083
ethyl (3R)-6-fluoro-3-hydroxy-1-methyl-2-oxoindole-3-carboxylate
CID 139040136
ethyl 1-(2-cyano-5-fluorophenyl)piperidine-4-carboxylate
CID 171316298
ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
CID 79768815
ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
CID 89064489
ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate
CID 103496481
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129
ethyl 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-oxoacetate
CID 117416816
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
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CID 155291590

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate?
The IUPAC name of ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate (CID 22419897) is ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate?
The canonical SMILES for ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate is CCOC(=O)N1c2cc(F)ccc2CS1(=O)=O.
What is the InChIKey of ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate?
The InChIKey is BDOJHYOVVTZSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4S/c1-2-16-10(13)12-9-5-8(11)4-3-7(9)6-17(12,14)15/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate?
ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-2,2-dioxo-3H-2,1-benzothiazole-1-carboxylate is sourced from PubChem (CID 22419897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).