2-(trifluoromethyl)-1,3-benzothiazole

C8H4F3NS — CID 608957

IUPAC2-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1nc2ccccc2s1
InChIInChI=1S/C8H4F3NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
InChIKeyTWIPCCMPIAFOKZ-UHFFFAOYSA-N
MW203.19 g/mol
LogP3.32
Rot. Bonds

About 2-(trifluoromethyl)-1,3-benzothiazole

2-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 608957) has the molecular formula C8H4F3NS and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-benzothiazole
PubChem CID608957
Molecular FormulaC8H4F3NS
Molecular Weight203.19 g/mol
Exact Mass203.00
IUPAC Name2-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1nc2ccccc2s1
InChIInChI=1S/C8H4F3NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
InChIKeyTWIPCCMPIAFOKZ-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 2-(trifluoromethyl)-1,3-benzothiazole (CID 608957) is 2-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 2-(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1nc2ccccc2s1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is TWIPCCMPIAFOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H.
What are the key properties of 2-(trifluoromethyl)-1,3-benzothiazole?
2-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 203.19 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 608957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).