2,4-difluoro-1,3-benzothiazol-6-ol

C7H3F2NOS — CID 174737226

IUPAC2,4-difluoro-1,3-benzothiazol-6-ol
SMILESOc1cc(F)c2nc(F)sc2c1
InChIInChI=1S/C7H3F2NOS/c8-4-1-3(11)2-5-6(4)10-7(9)12-5/h1-2,11H
InChIKeyYWUDJOVSMAOXIL-UHFFFAOYSA-N
MW187.17 g/mol
LogP2.28
Rot. Bonds

About 2,4-difluoro-1,3-benzothiazol-6-ol

2,4-difluoro-1,3-benzothiazol-6-ol (PubChem CID 174737226) has the molecular formula C7H3F2NOS and a molecular weight of 187.17 g/mol. Its IUPAC name is 2,4-difluoro-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2,4-difluoro-1,3-benzothiazol-6-ol
PubChem CID174737226
Molecular FormulaC7H3F2NOS
Molecular Weight187.17 g/mol
Exact Mass186.99
IUPAC Name2,4-difluoro-1,3-benzothiazol-6-ol
SMILESOc1cc(F)c2nc(F)sc2c1
InChIInChI=1S/C7H3F2NOS/c8-4-1-3(11)2-5-6(4)10-7(9)12-5/h1-2,11H
InChIKeyYWUDJOVSMAOXIL-UHFFFAOYSA-N
XLogP2.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1,3-benzothiazol-6-ol?
The IUPAC name of 2,4-difluoro-1,3-benzothiazol-6-ol (CID 174737226) is 2,4-difluoro-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2,4-difluoro-1,3-benzothiazol-6-ol?
The canonical SMILES for 2,4-difluoro-1,3-benzothiazol-6-ol is Oc1cc(F)c2nc(F)sc2c1.
What is the InChIKey of 2,4-difluoro-1,3-benzothiazol-6-ol?
The InChIKey is YWUDJOVSMAOXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2NOS/c8-4-1-3(11)2-5-6(4)10-7(9)12-5/h1-2,11H.
What are the key properties of 2,4-difluoro-1,3-benzothiazol-6-ol?
2,4-difluoro-1,3-benzothiazol-6-ol has a molecular weight of 187.17 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1,3-benzothiazol-6-ol is sourced from PubChem (CID 174737226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).