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

C10H10F3NO3S — CID 175746208

IUPAC3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol
SMILESCc1c(F)ccc2c1S(=O)(=O)N(C)C2(O)C(F)F
InChIInChI=1S/C10H10F3NO3S/c1-5-7(11)4-3-6-8(5)18(16,17)14(2)10(6,15)9(12)13/h3-4,9,15H,1-2H3
InChIKeyUMEAMZRVEPTPNY-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.18
Rot. Bonds1

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

3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol (PubChem CID 175746208) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol
PubChem CID175746208
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol
SMILESCc1c(F)ccc2c1S(=O)(=O)N(C)C2(O)C(F)F
InChIInChI=1S/C10H10F3NO3S/c1-5-7(11)4-3-6-8(5)18(16,17)14(2)10(6,15)9(12)13/h3-4,9,15H,1-2H3
InChIKeyUMEAMZRVEPTPNY-UHFFFAOYSA-N
XLogP1.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol?
The IUPAC name of 3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol (CID 175746208) is 3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol.
What is the SMILES notation for 3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol?
The canonical SMILES for 3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol is Cc1c(F)ccc2c1S(=O)(=O)N(C)C2(O)C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol?
The InChIKey is UMEAMZRVEPTPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-5-7(11)4-3-6-8(5)18(16,17)14(2)10(6,15)9(12)13/h3-4,9,15H,1-2H3.
What are the key properties of 3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol?
3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol has a molecular weight of 281.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-fluoro-2,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-ol is sourced from PubChem (CID 175746208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).