7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole

C8H3ClF3NOS — CID 165175793

IUPAC7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole
SMILESFC(F)(F)Oc1ccc2ncsc2c1Cl
InChIInChI=1S/C8H3ClF3NOS/c9-6-5(14-8(10,11)12)2-1-4-7(6)15-3-13-4/h1-3H
InChIKeyYIOJOUJLPYTTQJ-UHFFFAOYSA-N
MW253.63 g/mol
LogP3.85
Rot. Bonds1

About 7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole

7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole (PubChem CID 165175793) has the molecular formula C8H3ClF3NOS and a molecular weight of 253.63 g/mol. Its IUPAC name is 7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole.

Molecular Properties

Compound Name7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole
PubChem CID165175793
Molecular FormulaC8H3ClF3NOS
Molecular Weight253.63 g/mol
Exact Mass252.96
IUPAC Name7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole
SMILESFC(F)(F)Oc1ccc2ncsc2c1Cl
InChIInChI=1S/C8H3ClF3NOS/c9-6-5(14-8(10,11)12)2-1-4-7(6)15-3-13-4/h1-3H
InChIKeyYIOJOUJLPYTTQJ-UHFFFAOYSA-N
XLogP3.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.63
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-6-methyl-1,3-benzothiazole
CID 67962941
4-chloro-5-(trifluoromethoxy)-1-benzothiophene
CID 91236608
2,3-dichloro-4-(trifluoromethoxy)phenol
CID 119023608
2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 175748253
3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine
CID 130089712
3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089873
2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 71226998
5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 164893356
3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171007850
6-chloro-3-(trifluoromethoxy)pyridin-2-amine
CID 118991079
2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole
CID 143934374
3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine
CID 130093759

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole?
The IUPAC name of 7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole (CID 165175793) is 7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole.
What is the SMILES notation for 7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole?
The canonical SMILES for 7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole is FC(F)(F)Oc1ccc2ncsc2c1Cl.
What is the InChIKey of 7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole?
The InChIKey is YIOJOUJLPYTTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3NOS/c9-6-5(14-8(10,11)12)2-1-4-7(6)15-3-13-4/h1-3H.
What are the key properties of 7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole?
7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole has a molecular weight of 253.63 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole is sourced from PubChem (CID 165175793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).