4-(trifluoromethoxy)-1,2-benzothiazole

C8H4F3NOS — CID 121231919

IUPAC4-(trifluoromethoxy)-1,2-benzothiazole
SMILESFC(F)(F)Oc1cccc2sncc12
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)13-6-2-1-3-7-5(6)4-12-14-7/h1-4H
InChIKeyWNYIROBBKKQWIL-UHFFFAOYSA-N
MW219.19 g/mol
LogP3.19
Rot. Bonds1

About 4-(trifluoromethoxy)-1,2-benzothiazole

4-(trifluoromethoxy)-1,2-benzothiazole (PubChem CID 121231919) has the molecular formula C8H4F3NOS and a molecular weight of 219.19 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-1,2-benzothiazole.

Molecular Properties

Compound Name4-(trifluoromethoxy)-1,2-benzothiazole
PubChem CID121231919
Molecular FormulaC8H4F3NOS
Molecular Weight219.19 g/mol
Exact Mass219.00
IUPAC Name4-(trifluoromethoxy)-1,2-benzothiazole
SMILESFC(F)(F)Oc1cccc2sncc12
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)13-6-2-1-3-7-5(6)4-12-14-7/h1-4H
InChIKeyWNYIROBBKKQWIL-UHFFFAOYSA-N
XLogP3.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methoxybenzo[d]isothiazole
CID 13123247
7-(Difluoromethoxy)benzo[d]isothiazole
CID 19384355
2-[4-(Difluoromethoxy)-1,2-benzothiazol-3-yl]ethanamine
CID 57425212
7-Fluoro-4-methoxy-1,2-benzothiazole
CID 57485130
4-(Difluoromethoxy)-3-(thiolan-1-ylideneamino)-1,2-benzothiazole
CID 59141895
[4-(Difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-lambda4-sulfane
CID 59141937
4-(1,2-Benzoisothiazol-4-yloxy)-3-fluoroaniline
CID 68628730
4-(1,2-Benzoisothiazol-4-yloxy)-3-(trifluoromethyl)aniline
CID 68629469
3-Chloro-4-(difluoromethoxy)-1,2-benzothiazole
CID 68867625
4-(Difluoromethoxy)benzo[d]isothiazole
CID 76538253
[4-(Difluoromethoxy)-1,2-benzothiazol-3-yl] trifluoromethanesulfonate
CID 87088453
4-(difluoromethoxy)-N-(3,4-dihydro-2H-thiophen-1-yl)-1,2-benzothiazol-3-amine
CID 91095998

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-1,2-benzothiazole?
The IUPAC name of 4-(trifluoromethoxy)-1,2-benzothiazole (CID 121231919) is 4-(trifluoromethoxy)-1,2-benzothiazole.
What is the SMILES notation for 4-(trifluoromethoxy)-1,2-benzothiazole?
The canonical SMILES for 4-(trifluoromethoxy)-1,2-benzothiazole is FC(F)(F)Oc1cccc2sncc12.
What is the InChIKey of 4-(trifluoromethoxy)-1,2-benzothiazole?
The InChIKey is WNYIROBBKKQWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NOS/c9-8(10,11)13-6-2-1-3-7-5(6)4-12-14-7/h1-4H.
What are the key properties of 4-(trifluoromethoxy)-1,2-benzothiazole?
4-(trifluoromethoxy)-1,2-benzothiazole has a molecular weight of 219.19 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-1,2-benzothiazole is sourced from PubChem (CID 121231919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).