5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole

C8H6F2N2O — CID 89398295

IUPAC5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole
SMILESCc1c(F)c(F)c(C)c2nonc12
InChIInChI=1S/C8H6F2N2O/c1-3-5(9)6(10)4(2)8-7(3)11-13-12-8/h1-2H3
InChIKeyPBACYLDGEICXNB-UHFFFAOYSA-N
MW184.14 g/mol
LogP2.12
Rot. Bonds

About 5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole

5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole (PubChem CID 89398295) has the molecular formula C8H6F2N2O and a molecular weight of 184.14 g/mol. Its IUPAC name is 5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole
PubChem CID89398295
Molecular FormulaC8H6F2N2O
Molecular Weight184.14 g/mol
Exact Mass184.04
IUPAC Name5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole
SMILESCc1c(F)c(F)c(C)c2nonc12
InChIInChI=1S/C8H6F2N2O/c1-3-5(9)6(10)4(2)8-7(3)11-13-12-8/h1-2H3
InChIKeyPBACYLDGEICXNB-UHFFFAOYSA-N
XLogP2.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole?
The IUPAC name of 5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole (CID 89398295) is 5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole?
The canonical SMILES for 5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole is Cc1c(F)c(F)c(C)c2nonc12.
What is the InChIKey of 5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole?
The InChIKey is PBACYLDGEICXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-3-5(9)6(10)4(2)8-7(3)11-13-12-8/h1-2H3.
What are the key properties of 5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole?
5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole has a molecular weight of 184.14 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-4,7-dimethyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 89398295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).