azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate

C6H5BF5N3O2 — CID 88846875

IUPACazanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate
SMILESF[B-](F)(F)F.N#[NH+].O=[N+]([O-])c1ccccc1F
InChIInChI=1S/C6H4FNO2.BF4.N2/c7-5-3-1-2-4-6(5)8(9)10;2-1(3,4)5;1-2/h1-4H;;/q;-1;/p+1
InChIKeyUFLPEVBDRZGFFY-UHFFFAOYSA-O
MW256.93 g/mol
LogP1.31
Rot. Bonds1

About azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate

azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate (PubChem CID 88846875) has the molecular formula C6H5BF5N3O2 and a molecular weight of 256.93 g/mol. Its IUPAC name is azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate.

Molecular Properties

Compound Nameazanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate
PubChem CID88846875
Molecular FormulaC6H5BF5N3O2
Molecular Weight256.93 g/mol
Exact Mass257.04
IUPAC Nameazanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate
SMILESF[B-](F)(F)F.N#[NH+].O=[N+]([O-])c1ccccc1F
InChIInChI=1S/C6H4FNO2.BF4.N2/c7-5-3-1-2-4-6(5)8(9)10;2-1(3,4)5;1-2/h1-4H;;/q;-1;/p+1
InChIKeyUFLPEVBDRZGFFY-UHFFFAOYSA-O
XLogP1.31
TPSA90.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.93
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropanamine;1-fluoro-2-nitrobenzene
CID 157106778
but-1-ene;1-fluoro-2-nitrobenzene
CID 143489277
azanide;1,2-dinitrobenzene;platinum
CID 158959684
trifluoro-[(2-fluoro-6-nitrophenyl)methyl]boranuide
CID 171373996
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
2-fluoro-6-nitroaniline;hydrochloride
CID 169225840
1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 12909590
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
1-bromo-2-nitrobenzene
CID 158366116
azanylidyneazanium;1-nitronaphthalene;chloride
CID 23454944
1-fluoro-2-nitrobenzene;methane;methyl 2-fluoro-6-hydroxybenzoate
CID 159155492
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574

Frequently Asked Questions

What is the IUPAC name of azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate?
The IUPAC name of azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate (CID 88846875) is azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate.
What is the SMILES notation for azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate?
The canonical SMILES for azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate is F[B-](F)(F)F.N#[NH+].O=[N+]([O-])c1ccccc1F.
What is the InChIKey of azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate?
The InChIKey is UFLPEVBDRZGFFY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H4FNO2.BF4.N2/c7-5-3-1-2-4-6(5)8(9)10;2-1(3,4)5;1-2/h1-4H;;/q;-1;/p+1.
What are the key properties of azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate?
azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate has a molecular weight of 256.93 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate is sourced from PubChem (CID 88846875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).