6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one

C9H8FNO2S — CID 59282833

IUPAC6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(OCCF)cc2s1
InChIInChI=1S/C9H8FNO2S/c10-3-4-13-6-1-2-7-8(5-6)14-9(12)11-7/h1-2,5H,3-4H2,(H,11,12)
InChIKeyQRLBBNWOKQFPEX-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.94
Rot. Bonds3

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

6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one (PubChem CID 59282833) has the molecular formula C9H8FNO2S and a molecular weight of 213.23 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one
PubChem CID59282833
Molecular FormulaC9H8FNO2S
Molecular Weight213.23 g/mol
Exact Mass213.03
IUPAC Name6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(OCCF)cc2s1
InChIInChI=1S/C9H8FNO2S/c10-3-4-13-6-1-2-7-8(5-6)14-9(12)11-7/h1-2,5H,3-4H2,(H,11,12)
InChIKeyQRLBBNWOKQFPEX-UHFFFAOYSA-N
XLogP1.94
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethoxy-2-mercaptobenzothiazole
CID 719344
6-Methoxybenzo[d]thiazole-2(3H)-thione
CID 11401345
(E)-1-(6-ethoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-(p-methoxyphenyl)urea
CID 4127365
2-Benzothiazolinone, 5-methoxy-
CID 27132
2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-
CID 3062837
3-(3-phenoxypropyl)benzo[d]thiazol-2(3H)-one
CID 3157896
N-cyclohexyl-N-methyl-4-[(2-oxo-3H-1,3-benzothiazol-6-yl)oxy]butanamide
CID 44333023
7-propoxy-4H-1,4-benzothiazin-3-one
CID 45257573
8-ethoxy-2,2-bis(trifluoromethyl)-2,3-dihydro-4H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
CID 6624588
6-Methoxy-2(3H)-benzothiazolone
CID 13745706
6-butoxy-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-one
CID 76900255
7-Ethoxy-4H-benzo[1,4]thiazin-3-one
CID 768468

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one (CID 59282833) is 6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one is O=c1[nH]c2ccc(OCCF)cc2s1.
What is the InChIKey of 6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one?
The InChIKey is QRLBBNWOKQFPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2S/c10-3-4-13-6-1-2-7-8(5-6)14-9(12)11-7/h1-2,5H,3-4H2,(H,11,12).
What are the key properties of 6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one?
6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one has a molecular weight of 213.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 59282833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).