5-fluoro-2,1,3-benzoxadiazol-4-amine

C6H4FN3O — CID 130649170

IUPAC5-fluoro-2,1,3-benzoxadiazol-4-amine
SMILESNc1c(F)ccc2nonc12
InChIInChI=1S/C6H4FN3O/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2
InChIKeyWRBRJPSCNPKILI-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.94
Rot. Bonds

About 5-fluoro-2,1,3-benzoxadiazol-4-amine

5-fluoro-2,1,3-benzoxadiazol-4-amine (PubChem CID 130649170) has the molecular formula C6H4FN3O and a molecular weight of 153.12 g/mol. Its IUPAC name is 5-fluoro-2,1,3-benzoxadiazol-4-amine.

Molecular Properties

Compound Name5-fluoro-2,1,3-benzoxadiazol-4-amine
PubChem CID130649170
Molecular FormulaC6H4FN3O
Molecular Weight153.12 g/mol
Exact Mass153.03
IUPAC Name5-fluoro-2,1,3-benzoxadiazol-4-amine
SMILESNc1c(F)ccc2nonc12
InChIInChI=1S/C6H4FN3O/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2
InChIKeyWRBRJPSCNPKILI-UHFFFAOYSA-N
XLogP0.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-N-[(3-chloro-5-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4,5-diamine
CID 144629350
5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole-4,5-diamine
CID 144629370
2,1,3-benzoxadiazole-4,7-diamine
CID 591590
5-fluoro-2,1,3-benzoxadiazole
CID 22905795
4-bromo-5-methoxy-2,1,3-benzoxadiazole
CID 615112
5-bromo-4-methyl-2,1,3-benzoxadiazole
CID 90403897
6,7-difluoro-1,3-benzoxazol-2-amine;hydrochloride
CID 75488555
[2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoxadiazole
CID 155902971
4-(2,5-difluorophenyl)sulfanyl-2,1,3-benzoxadiazol-7-amine
CID 43518925
4-(4-bromo-2-fluorophenoxy)-2,1,3-benzoxadiazol-7-amine
CID 43518747
4-N-(5-bromo-2-fluorophenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43555542
N'-(2,1,3-benzoxadiazol-4-yl)methanimidamide
CID 595639

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,1,3-benzoxadiazol-4-amine?
The IUPAC name of 5-fluoro-2,1,3-benzoxadiazol-4-amine (CID 130649170) is 5-fluoro-2,1,3-benzoxadiazol-4-amine.
What is the SMILES notation for 5-fluoro-2,1,3-benzoxadiazol-4-amine?
The canonical SMILES for 5-fluoro-2,1,3-benzoxadiazol-4-amine is Nc1c(F)ccc2nonc12.
What is the InChIKey of 5-fluoro-2,1,3-benzoxadiazol-4-amine?
The InChIKey is WRBRJPSCNPKILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3O/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2.
What are the key properties of 5-fluoro-2,1,3-benzoxadiazol-4-amine?
5-fluoro-2,1,3-benzoxadiazol-4-amine has a molecular weight of 153.12 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,1,3-benzoxadiazol-4-amine is sourced from PubChem (CID 130649170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).