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

C10H12F3NOS — CID 79965191

IUPAC2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(CCC(F)(F)F)sc21
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)5-4-8-14-6-2-1-3-7(15)9(6)16-8/h7,15H,1-5H2
InChIKeyQGDSJQSCXUZQIN-UHFFFAOYSA-N
MW251.27 g/mol
LogP3.01
Rot. Bonds2

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

2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 79965191) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID79965191
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(CCC(F)(F)F)sc21
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)5-4-8-14-6-2-1-3-7(15)9(6)16-8/h7,15H,1-5H2
InChIKeyQGDSJQSCXUZQIN-UHFFFAOYSA-N
XLogP3.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 79965191) is 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is OC1CCCc2nc(CCC(F)(F)F)sc21.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is QGDSJQSCXUZQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c11-10(12,13)5-4-8-14-6-2-1-3-7(15)9(6)16-8/h7,15H,1-5H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 251.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 79965191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).