4-fluoro-6-methoxy-2,1,3-benzoxadiazole

C7H5FN2O2 — CID 123474675

IUPAC4-fluoro-6-methoxy-2,1,3-benzoxadiazole
SMILESCOc1cc(F)c2nonc2c1
InChIInChI=1S/C7H5FN2O2/c1-11-4-2-5(8)7-6(3-4)9-12-10-7/h2-3H,1H3
InChIKeyNIZLCNJBPWQQFR-UHFFFAOYSA-N
MW168.13 g/mol
LogP1.37
Rot. Bonds1

About 4-fluoro-6-methoxy-2,1,3-benzoxadiazole

4-fluoro-6-methoxy-2,1,3-benzoxadiazole (PubChem CID 123474675) has the molecular formula C7H5FN2O2 and a molecular weight of 168.13 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2,1,3-benzoxadiazole
PubChem CID123474675
Molecular FormulaC7H5FN2O2
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name4-fluoro-6-methoxy-2,1,3-benzoxadiazole
SMILESCOc1cc(F)c2nonc2c1
InChIInChI=1S/C7H5FN2O2/c1-11-4-2-5(8)7-6(3-4)9-12-10-7/h2-3H,1H3
InChIKeyNIZLCNJBPWQQFR-UHFFFAOYSA-N
XLogP1.37
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2,1,3-benzoxadiazole?
The IUPAC name of 4-fluoro-6-methoxy-2,1,3-benzoxadiazole (CID 123474675) is 4-fluoro-6-methoxy-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-fluoro-6-methoxy-2,1,3-benzoxadiazole?
The canonical SMILES for 4-fluoro-6-methoxy-2,1,3-benzoxadiazole is COc1cc(F)c2nonc2c1.
What is the InChIKey of 4-fluoro-6-methoxy-2,1,3-benzoxadiazole?
The InChIKey is NIZLCNJBPWQQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2/c1-11-4-2-5(8)7-6(3-4)9-12-10-7/h2-3H,1H3.
What are the key properties of 4-fluoro-6-methoxy-2,1,3-benzoxadiazole?
4-fluoro-6-methoxy-2,1,3-benzoxadiazole has a molecular weight of 168.13 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2,1,3-benzoxadiazole is sourced from PubChem (CID 123474675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).