5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C11H14F3NOS — CID 62090801

IUPAC5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(CC(F)(F)F)sc2C(O)C1
InChIInChI=1S/C11H14F3NOS/c1-10(2)3-6-9(7(16)4-10)17-8(15-6)5-11(12,13)14/h7,16H,3-5H2,1-2H3
InChIKeyRQRCDKIFYOIOLJ-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.25
Rot. Bonds1

About 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol

5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62090801) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62090801
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(CC(F)(F)F)sc2C(O)C1
InChIInChI=1S/C11H14F3NOS/c1-10(2)3-6-9(7(16)4-10)17-8(15-6)5-11(12,13)14/h7,16H,3-5H2,1-2H3
InChIKeyRQRCDKIFYOIOLJ-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62090801) is 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1(C)Cc2nc(CC(F)(F)F)sc2C(O)C1.
What is the InChIKey of 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is RQRCDKIFYOIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-10(2)3-6-9(7(16)4-10)17-8(15-6)5-11(12,13)14/h7,16H,3-5H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 265.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62090801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).