2-(2-fluorophenyl)-1,2-benzothiazol-3-one

C13H8FNOS — CID 22416236

IUPAC2-(2-fluorophenyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccccc1F
InChIInChI=1S/C13H8FNOS/c14-10-6-2-3-7-11(10)15-13(16)9-5-1-4-8-12(9)17-15/h1-8H
InChIKeyIFVNDQLFGOHRTK-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.19
Rot. Bonds1

About 2-(2-fluorophenyl)-1,2-benzothiazol-3-one

2-(2-fluorophenyl)-1,2-benzothiazol-3-one (PubChem CID 22416236) has the molecular formula C13H8FNOS and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,2-benzothiazol-3-one
PubChem CID22416236
Molecular FormulaC13H8FNOS
Molecular Weight245.28 g/mol
Exact Mass245.03
IUPAC Name2-(2-fluorophenyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccccc1F
InChIInChI=1S/C13H8FNOS/c14-10-6-2-3-7-11(10)15-13(16)9-5-1-4-8-12(9)17-15/h1-8H
InChIKeyIFVNDQLFGOHRTK-UHFFFAOYSA-N
XLogP3.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ebselen
CID 3194
2-phenyl-1,2-benzisothiazol-3-(2H)-one
CID 164981
2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one
CID 935415
Ebselen Oxide
CID 368655
2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
CID 1510389
6-Fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one
CID 1510379
1,2-Benzisoselenazol-3(2H)-one, 2-(4-methylphenyl)-
CID 3067566
1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-
CID 3067590
2-(4-Chlorophenyl)-1,2-benzothiazol-3-one
CID 11219195
6-Bromo-2-phenyl-1,2-benzothiazol-3-one
CID 22416220
5-Fluoro-2-phenyl-1,2-benzothiazol-3-one
CID 22416235
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 5040456

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(2-fluorophenyl)-1,2-benzothiazol-3-one (CID 22416236) is 2-(2-fluorophenyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1,2-benzothiazol-3-one?
The InChIKey is IFVNDQLFGOHRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOS/c14-10-6-2-3-7-11(10)15-13(16)9-5-1-4-8-12(9)17-15/h1-8H.
What are the key properties of 2-(2-fluorophenyl)-1,2-benzothiazol-3-one?
2-(2-fluorophenyl)-1,2-benzothiazol-3-one has a molecular weight of 245.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 22416236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).