4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole

C9H4F5NO2S — CID 118807347

IUPAC4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole
SMILESFC(F)Oc1cccc2sc(OC(F)(F)F)nc12
InChIInChI=1S/C9H4F5NO2S/c10-7(11)16-4-2-1-3-5-6(4)15-8(18-5)17-9(12,13)14/h1-3,7H
InChIKeyZNAMKYDJCMGUOM-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.80
Rot. Bonds3

About 4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole

4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole (PubChem CID 118807347) has the molecular formula C9H4F5NO2S and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole
PubChem CID118807347
Molecular FormulaC9H4F5NO2S
Molecular Weight285.19 g/mol
Exact Mass284.99
IUPAC Name4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole
SMILESFC(F)Oc1cccc2sc(OC(F)(F)F)nc12
InChIInChI=1S/C9H4F5NO2S/c10-7(11)16-4-2-1-3-5-6(4)15-8(18-5)17-9(12,13)14/h1-3,7H
InChIKeyZNAMKYDJCMGUOM-UHFFFAOYSA-N
XLogP3.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole
CID 118817486
3-[[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]amino]-2-methoxy-2-methyl-3-oxopropanoic acid
CID 146136041
3-(difluoromethoxy)-2-(trifluoromethoxy)phenol
CID 134622354
4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120
2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole
CID 118070677
1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 171027360
1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
CID 134625765
3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 167931221
4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole
CID 118823794
2,4-bis(difluoromethoxy)-1,3-benzoxazole
CID 119004569
2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine
CID 62197887
1,5-bis(difluoromethoxy)naphthalene
CID 166641341

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole?
The IUPAC name of 4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole (CID 118807347) is 4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole.
What is the SMILES notation for 4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole?
The canonical SMILES for 4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole is FC(F)Oc1cccc2sc(OC(F)(F)F)nc12.
What is the InChIKey of 4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole?
The InChIKey is ZNAMKYDJCMGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F5NO2S/c10-7(11)16-4-2-1-3-5-6(4)15-8(18-5)17-9(12,13)14/h1-3,7H.
What are the key properties of 4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole?
4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole has a molecular weight of 285.19 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole is sourced from PubChem (CID 118807347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).