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

C8H6F3NOS — CID 19738242

IUPAC2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole
SMILESFC(F)(F)OC1Nc2ccccc2S1
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)13-7-12-5-3-1-2-4-6(5)14-7/h1-4,7,12H
InChIKeySFZXFCUCBQSQON-UHFFFAOYSA-N
MW221.20 g/mol
LogP3.02
Rot. Bonds1

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

2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole (PubChem CID 19738242) has the molecular formula C8H6F3NOS and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole
PubChem CID19738242
Molecular FormulaC8H6F3NOS
Molecular Weight221.20 g/mol
Exact Mass221.01
IUPAC Name2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole
SMILESFC(F)(F)OC1Nc2ccccc2S1
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)13-7-12-5-3-1-2-4-6(5)14-7/h1-4,7,12H
InChIKeySFZXFCUCBQSQON-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole (CID 19738242) is 2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole is FC(F)(F)OC1Nc2ccccc2S1.
What is the InChIKey of 2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole?
The InChIKey is SFZXFCUCBQSQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NOS/c9-8(10,11)13-7-12-5-3-1-2-4-6(5)14-7/h1-4,7,12H.
What are the key properties of 2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole?
2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole has a molecular weight of 221.20 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 19738242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).