6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole

C8H6F3NOS — CID 19828059

IUPAC6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole
SMILESFC(F)(F)Oc1ccc2c(c1)SCN2
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)13-5-1-2-6-7(3-5)14-4-12-6/h1-3,12H,4H2
InChIKeyWOJVWFTYDGANDM-UHFFFAOYSA-N
MW221.20 g/mol
LogP3.06
Rot. Bonds1

About 6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole

6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole (PubChem CID 19828059) has the molecular formula C8H6F3NOS and a molecular weight of 221.20 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole
PubChem CID19828059
Molecular FormulaC8H6F3NOS
Molecular Weight221.20 g/mol
Exact Mass221.01
IUPAC Name6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole
SMILESFC(F)(F)Oc1ccc2c(c1)SCN2
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)13-5-1-2-6-7(3-5)14-4-12-6/h1-3,12H,4H2
InChIKeyWOJVWFTYDGANDM-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole (CID 19828059) is 6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole is FC(F)(F)Oc1ccc2c(c1)SCN2.
What is the InChIKey of 6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole?
The InChIKey is WOJVWFTYDGANDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NOS/c9-8(10,11)13-5-1-2-6-7(3-5)14-4-12-6/h1-3,12H,4H2.
What are the key properties of 6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole?
6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole has a molecular weight of 221.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 19828059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).