6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol

C10H9F4NO3S — CID 164524316

IUPAC6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol
SMILESCc1c(F)ccc2c1S(=O)(=O)N(C)C2(O)C(F)(F)F
InChIInChI=1S/C10H9F4NO3S/c1-5-7(11)4-3-6-8(5)19(17,18)15(2)9(6,16)10(12,13)14/h3-4,16H,1-2H3
InChIKeySVXHNSXOFYYZLB-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.48
Rot. Bonds

About 6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol

6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol (PubChem CID 164524316) has the molecular formula C10H9F4NO3S and a molecular weight of 299.25 g/mol. Its IUPAC name is 6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol.

Molecular Properties

Compound Name6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol
PubChem CID164524316
Molecular FormulaC10H9F4NO3S
Molecular Weight299.25 g/mol
Exact Mass299.02
IUPAC Name6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol
SMILESCc1c(F)ccc2c1S(=O)(=O)N(C)C2(O)C(F)(F)F
InChIInChI=1S/C10H9F4NO3S/c1-5-7(11)4-3-6-8(5)19(17,18)15(2)9(6,16)10(12,13)14/h3-4,16H,1-2H3
InChIKeySVXHNSXOFYYZLB-UHFFFAOYSA-N
XLogP1.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol?
The IUPAC name of 6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol (CID 164524316) is 6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol.
What is the SMILES notation for 6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol?
The canonical SMILES for 6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol is Cc1c(F)ccc2c1S(=O)(=O)N(C)C2(O)C(F)(F)F.
What is the InChIKey of 6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol?
The InChIKey is SVXHNSXOFYYZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO3S/c1-5-7(11)4-3-6-8(5)19(17,18)15(2)9(6,16)10(12,13)14/h3-4,16H,1-2H3.
What are the key properties of 6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol?
6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol has a molecular weight of 299.25 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,7-dimethyl-1,1-dioxo-3-(trifluoromethyl)-1,2-benzothiazol-3-ol is sourced from PubChem (CID 164524316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).