3,3-difluoro-1H-2,1-benzothiazole 2-oxide

C7H5F2NOS — CID 143071963

IUPAC3,3-difluoro-1H-2,1-benzothiazole 2-oxide
SMILESO=S1Nc2ccccc2C1(F)F
InChIInChI=1S/C7H5F2NOS/c8-7(9)5-3-1-2-4-6(5)10-12(7)11/h1-4,10H
InChIKeySFVBYMWOYYABNQ-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.83
Rot. Bonds

About 3,3-difluoro-1H-2,1-benzothiazole 2-oxide

3,3-difluoro-1H-2,1-benzothiazole 2-oxide (PubChem CID 143071963) has the molecular formula C7H5F2NOS and a molecular weight of 189.19 g/mol. Its IUPAC name is 3,3-difluoro-1H-2,1-benzothiazole 2-oxide.

Molecular Properties

Compound Name3,3-difluoro-1H-2,1-benzothiazole 2-oxide
PubChem CID143071963
Molecular FormulaC7H5F2NOS
Molecular Weight189.19 g/mol
Exact Mass189.01
IUPAC Name3,3-difluoro-1H-2,1-benzothiazole 2-oxide
SMILESO=S1Nc2ccccc2C1(F)F
InChIInChI=1S/C7H5F2NOS/c8-7(9)5-3-1-2-4-6(5)10-12(7)11/h1-4,10H
InChIKeySFVBYMWOYYABNQ-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1H-2,1-benzothiazole 2-oxide?
The IUPAC name of 3,3-difluoro-1H-2,1-benzothiazole 2-oxide (CID 143071963) is 3,3-difluoro-1H-2,1-benzothiazole 2-oxide.
What is the SMILES notation for 3,3-difluoro-1H-2,1-benzothiazole 2-oxide?
The canonical SMILES for 3,3-difluoro-1H-2,1-benzothiazole 2-oxide is O=S1Nc2ccccc2C1(F)F.
What is the InChIKey of 3,3-difluoro-1H-2,1-benzothiazole 2-oxide?
The InChIKey is SFVBYMWOYYABNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NOS/c8-7(9)5-3-1-2-4-6(5)10-12(7)11/h1-4,10H.
What are the key properties of 3,3-difluoro-1H-2,1-benzothiazole 2-oxide?
3,3-difluoro-1H-2,1-benzothiazole 2-oxide has a molecular weight of 189.19 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1H-2,1-benzothiazole 2-oxide is sourced from PubChem (CID 143071963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).