2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C9H10F3NOS — CID 64976350

IUPAC2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(CC(F)(F)F)nc21
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)4-7-13-8-5(14)2-1-3-6(8)15-7/h5,14H,1-4H2
InChIKeySIDCUVFZVVRXAN-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.62
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64976350) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64976350
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(CC(F)(F)F)nc21
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)4-7-13-8-5(14)2-1-3-6(8)15-7/h5,14H,1-4H2
InChIKeySIDCUVFZVVRXAN-UHFFFAOYSA-N
XLogP2.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64976350) is 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is OC1CCCc2sc(CC(F)(F)F)nc21.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is SIDCUVFZVVRXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c10-9(11,12)4-7-13-8-5(14)2-1-3-6(8)15-7/h5,14H,1-4H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 237.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64976350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).