6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one

C14H8FNO2S — CID 11265762

IUPAC6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one
SMILESO=C(c1ccc(F)cc1)c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C14H8FNO2S/c15-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18)16-11/h1-7H,(H,16,18)
InChIKeyZOBCKHFYRIWBAK-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.96
Rot. Bonds2

About 6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one

6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one (PubChem CID 11265762) has the molecular formula C14H8FNO2S and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one
PubChem CID11265762
Molecular FormulaC14H8FNO2S
Molecular Weight273.29 g/mol
Exact Mass273.03
IUPAC Name6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one
SMILESO=C(c1ccc(F)cc1)c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C14H8FNO2S/c15-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18)16-11/h1-7H,(H,16,18)
InChIKeyZOBCKHFYRIWBAK-UHFFFAOYSA-N
XLogP2.96
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one (CID 11265762) is 6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one is O=C(c1ccc(F)cc1)c1ccc2[nH]c(=O)sc2c1.
What is the InChIKey of 6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one?
The InChIKey is ZOBCKHFYRIWBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2S/c15-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18)16-11/h1-7H,(H,16,18).
What are the key properties of 6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one?
6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one has a molecular weight of 273.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorobenzoyl)-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 11265762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).