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

C8H8F3NOS — CID 112639693

IUPAC2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(C(F)(F)F)sc21
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)7-12-4-2-1-3-5(13)6(4)14-7/h5,13H,1-3H2
InChIKeyRYDHBZMHCDEBPZ-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.53
Rot. Bonds

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

2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 112639693) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID112639693
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(C(F)(F)F)sc21
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)7-12-4-2-1-3-5(13)6(4)14-7/h5,13H,1-3H2
InChIKeyRYDHBZMHCDEBPZ-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 112639693) is 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is OC1CCCc2nc(C(F)(F)F)sc21.
What is the InChIKey of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is RYDHBZMHCDEBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c9-8(10,11)7-12-4-2-1-3-5(13)6(4)14-7/h5,13H,1-3H2.
What are the key properties of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 223.22 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 112639693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).