2-(4-fluorophenyl)-1,2-benzothiazol-3-one

C13H8FNOS — CID 22416276

IUPAC2-(4-fluorophenyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccc(F)cc1
InChIInChI=1S/C13H8FNOS/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
InChIKeyLFFVVGVBSRSFRK-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.19
Rot. Bonds1

About 2-(4-fluorophenyl)-1,2-benzothiazol-3-one

2-(4-fluorophenyl)-1,2-benzothiazol-3-one (PubChem CID 22416276) has the molecular formula C13H8FNOS and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,2-benzothiazol-3-one
PubChem CID22416276
Molecular FormulaC13H8FNOS
Molecular Weight245.28 g/mol
Exact Mass245.03
IUPAC Name2-(4-fluorophenyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccc(F)cc1
InChIInChI=1S/C13H8FNOS/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
InChIKeyLFFVVGVBSRSFRK-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(4-fluorophenyl)-1,2-benzothiazol-3-one (CID 22416276) is 2-(4-fluorophenyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1,2-benzothiazol-3-one?
The InChIKey is LFFVVGVBSRSFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOS/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H.
What are the key properties of 2-(4-fluorophenyl)-1,2-benzothiazol-3-one?
2-(4-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-(4-fluorophenyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 22416276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).