3-(1-fluoroethyl)-1,2-benzothiazol-7-ol

C9H8FNOS — CID 84667591

IUPAC3-(1-fluoroethyl)-1,2-benzothiazol-7-ol
SMILESCC(F)c1nsc2c(O)cccc12
InChIInChI=1S/C9H8FNOS/c1-5(10)8-6-3-2-4-7(12)9(6)13-11-8/h2-5,12H,1H3
InChIKeyMCRXVELSJKKKDM-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.03
Rot. Bonds1

About 3-(1-fluoroethyl)-1,2-benzothiazol-7-ol

3-(1-fluoroethyl)-1,2-benzothiazol-7-ol (PubChem CID 84667591) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-1,2-benzothiazol-7-ol.

Molecular Properties

Compound Name3-(1-fluoroethyl)-1,2-benzothiazol-7-ol
PubChem CID84667591
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name3-(1-fluoroethyl)-1,2-benzothiazol-7-ol
SMILESCC(F)c1nsc2c(O)cccc12
InChIInChI=1S/C9H8FNOS/c1-5(10)8-6-3-2-4-7(12)9(6)13-11-8/h2-5,12H,1H3
InChIKeyMCRXVELSJKKKDM-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methoxy-3-methylbenzo[d]isothiazole
CID 13952025
3-Methylbenzo[d]isothiazol-5-ol
CID 12607084
4-Fluoro-1,2-benzothiazol-7-ol
CID 57485138
3-(4-Fluoro-phenyl)-benzo[d]isothiazol-6-ol
CID 135847953
3-Phenyl-1,2-benzothiazol-5-ol
CID 85563925
3-(Fluoromethyl)-1,2-benzothiazol-5-ol
CID 84658972
3-(Fluoromethyl)-1,2-benzothiazol-7-ol
CID 84658974
3-(1-Fluoroethyl)-1,2-benzothiazol-5-ol
CID 84667589
3-(Difluoromethyl)-1,2-benzothiazol-5-ol
CID 84669884
3-(Difluoromethyl)-1,2-benzothiazol-7-ol
CID 84669886
3-(2-Fluoropropan-2-yl)-1,2-benzothiazol-5-ol
CID 84678487
3-(2-Fluoropropan-2-yl)-1,2-benzothiazol-7-ol
CID 84678489

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-1,2-benzothiazol-7-ol?
The IUPAC name of 3-(1-fluoroethyl)-1,2-benzothiazol-7-ol (CID 84667591) is 3-(1-fluoroethyl)-1,2-benzothiazol-7-ol.
What is the SMILES notation for 3-(1-fluoroethyl)-1,2-benzothiazol-7-ol?
The canonical SMILES for 3-(1-fluoroethyl)-1,2-benzothiazol-7-ol is CC(F)c1nsc2c(O)cccc12.
What is the InChIKey of 3-(1-fluoroethyl)-1,2-benzothiazol-7-ol?
The InChIKey is MCRXVELSJKKKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-5(10)8-6-3-2-4-7(12)9(6)13-11-8/h2-5,12H,1H3.
What are the key properties of 3-(1-fluoroethyl)-1,2-benzothiazol-7-ol?
3-(1-fluoroethyl)-1,2-benzothiazol-7-ol has a molecular weight of 197.23 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-1,2-benzothiazol-7-ol is sourced from PubChem (CID 84667591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).