2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate

C11H10FNO3S — CID 2057949

IUPAC2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
SMILESO=C(Cn1c(=O)sc2ccccc21)OCCF
InChIInChI=1S/C11H10FNO3S/c12-5-6-16-10(14)7-13-8-3-1-2-4-9(8)17-11(13)15/h1-4H,5-7H2
InChIKeyYBTNMBIBJOMKAM-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.58
Rot. Bonds4

About 2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate

2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate (PubChem CID 2057949) has the molecular formula C11H10FNO3S and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate.

Molecular Properties

Compound Name2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
PubChem CID2057949
Molecular FormulaC11H10FNO3S
Molecular Weight255.27 g/mol
Exact Mass255.04
IUPAC Name2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
SMILESO=C(Cn1c(=O)sc2ccccc21)OCCF
InChIInChI=1S/C11H10FNO3S/c12-5-6-16-10(14)7-13-8-3-1-2-4-9(8)17-11(13)15/h1-4H,5-7H2
InChIKeyYBTNMBIBJOMKAM-UHFFFAOYSA-N
XLogP1.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
The IUPAC name of 2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate (CID 2057949) is 2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate.
What is the SMILES notation for 2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
The canonical SMILES for 2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is O=C(Cn1c(=O)sc2ccccc21)OCCF.
What is the InChIKey of 2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
The InChIKey is YBTNMBIBJOMKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3S/c12-5-6-16-10(14)7-13-8-3-1-2-4-9(8)17-11(13)15/h1-4H,5-7H2.
What are the key properties of 2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate has a molecular weight of 255.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is sourced from PubChem (CID 2057949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).