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

C9H5F4NOS — CID 118817486

IUPAC4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole
SMILESFC(F)Oc1cccc2sc(C(F)F)nc12
InChIInChI=1S/C9H5F4NOS/c10-7(11)8-14-6-4(15-9(12)13)2-1-3-5(6)16-8/h1-3,7,9H
InChIKeyCISANXURZOKKBT-UHFFFAOYSA-N
MW251.20 g/mol
LogP3.84
Rot. Bonds3

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

4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole (PubChem CID 118817486) has the molecular formula C9H5F4NOS and a molecular weight of 251.20 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole
PubChem CID118817486
Molecular FormulaC9H5F4NOS
Molecular Weight251.20 g/mol
Exact Mass251.00
IUPAC Name4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole
SMILESFC(F)Oc1cccc2sc(C(F)F)nc12
InChIInChI=1S/C9H5F4NOS/c10-7(11)8-14-6-4(15-9(12)13)2-1-3-5(6)16-8/h1-3,7,9H
InChIKeyCISANXURZOKKBT-UHFFFAOYSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole?
The IUPAC name of 4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole (CID 118817486) is 4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole is FC(F)Oc1cccc2sc(C(F)F)nc12.
What is the InChIKey of 4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole?
The InChIKey is CISANXURZOKKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4NOS/c10-7(11)8-14-6-4(15-9(12)13)2-1-3-5(6)16-8/h1-3,7,9H.
What are the key properties of 4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole?
4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole has a molecular weight of 251.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 118817486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).