6-ethoxy-5-fluoro-2,1,3-benzoxadiazole

C8H7FN2O2 — CID 139233664

IUPAC6-ethoxy-5-fluoro-2,1,3-benzoxadiazole
SMILESCCOc1cc2nonc2cc1F
InChIInChI=1S/C8H7FN2O2/c1-2-12-8-4-7-6(3-5(8)9)10-13-11-7/h3-4H,2H2,1H3
InChIKeyAMZNNRCVTKZMIG-UHFFFAOYSA-N
MW182.15 g/mol
LogP1.76
Rot. Bonds2

About 6-ethoxy-5-fluoro-2,1,3-benzoxadiazole

6-ethoxy-5-fluoro-2,1,3-benzoxadiazole (PubChem CID 139233664) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 6-ethoxy-5-fluoro-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name6-ethoxy-5-fluoro-2,1,3-benzoxadiazole
PubChem CID139233664
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name6-ethoxy-5-fluoro-2,1,3-benzoxadiazole
SMILESCCOc1cc2nonc2cc1F
InChIInChI=1S/C8H7FN2O2/c1-2-12-8-4-7-6(3-5(8)9)10-13-11-7/h3-4H,2H2,1H3
InChIKeyAMZNNRCVTKZMIG-UHFFFAOYSA-N
XLogP1.76
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxybenzofurazan 3-oxide
CID 548515
5-Methoxybenzofurazan
CID 138228
5-Methoxy-2,1,3-benzothiadiazole
CID 2781245
2,1,3-Benzoselenadiazole, 5-methoxy-
CID 357317
5-(Benzyloxy)Benzo[C][1,2,5]Oxadiazole 1-Oxide
CID 71450214
5-[(4-Methylphenyl)methoxy]-1-oxido-2,1,3-benzoxadiazol-1-ium
CID 71452042
5-[(4-Fluorophenyl)methoxy]-1-oxido-2,1,3-benzoxadiazol-1-ium
CID 71455577
5-[(3-Nitrophenyl)methoxy]-1-oxido-2,1,3-benzoxadiazol-1-ium
CID 71461007
1H-Benzotriazole, 6-(pentyloxy)-, sodium salt (1:1)
CID 44149240
1-Oxido-5-[[4-(trifluoromethyl)phenyl]methoxy]-2,1,3-benzoxadiazol-1-ium
CID 71455578
5-Phenethoxybenzo[C][1,2,5]Oxadiazole 1-Oxide
CID 71457373
5-Methoxybenzofurazan-1-oxide
CID 321028

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-fluoro-2,1,3-benzoxadiazole?
The IUPAC name of 6-ethoxy-5-fluoro-2,1,3-benzoxadiazole (CID 139233664) is 6-ethoxy-5-fluoro-2,1,3-benzoxadiazole.
What is the SMILES notation for 6-ethoxy-5-fluoro-2,1,3-benzoxadiazole?
The canonical SMILES for 6-ethoxy-5-fluoro-2,1,3-benzoxadiazole is CCOc1cc2nonc2cc1F.
What is the InChIKey of 6-ethoxy-5-fluoro-2,1,3-benzoxadiazole?
The InChIKey is AMZNNRCVTKZMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-2-12-8-4-7-6(3-5(8)9)10-13-11-7/h3-4H,2H2,1H3.
What are the key properties of 6-ethoxy-5-fluoro-2,1,3-benzoxadiazole?
6-ethoxy-5-fluoro-2,1,3-benzoxadiazole has a molecular weight of 182.15 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-fluoro-2,1,3-benzoxadiazole is sourced from PubChem (CID 139233664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).