5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one

C13H7F2NOS — CID 44968081

IUPAC5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one
SMILESO=c1c2cc(F)c(F)cc2sn1-c1ccccc1
InChIInChI=1S/C13H7F2NOS/c14-10-6-9-12(7-11(10)15)18-16(13(9)17)8-4-2-1-3-5-8/h1-7H
InChIKeyWRCVJJSTMPYLCM-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.33
Rot. Bonds1

About 5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one

5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one (PubChem CID 44968081) has the molecular formula C13H7F2NOS and a molecular weight of 263.27 g/mol. Its IUPAC name is 5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one
PubChem CID44968081
Molecular FormulaC13H7F2NOS
Molecular Weight263.27 g/mol
Exact Mass263.02
IUPAC Name5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one
SMILESO=c1c2cc(F)c(F)cc2sn1-c1ccccc1
InChIInChI=1S/C13H7F2NOS/c14-10-6-9-12(7-11(10)15)18-16(13(9)17)8-4-2-1-3-5-8/h1-7H
InChIKeyWRCVJJSTMPYLCM-UHFFFAOYSA-N
XLogP3.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one?
The IUPAC name of 5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one (CID 44968081) is 5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one.
What is the SMILES notation for 5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one?
The canonical SMILES for 5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one is O=c1c2cc(F)c(F)cc2sn1-c1ccccc1.
What is the InChIKey of 5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one?
The InChIKey is WRCVJJSTMPYLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NOS/c14-10-6-9-12(7-11(10)15)18-16(13(9)17)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one?
5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one has a molecular weight of 263.27 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-phenyl-1,2-benzothiazol-3-one is sourced from PubChem (CID 44968081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).