[4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium

C8H10BFN3+ — CID 20762722

IUPAC[4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium
SMILESCN(C)c1ccc(N=[N+]=BF)cc1
InChIInChI=1S/C8H10BFN3/c1-13(2)8-5-3-7(4-6-8)11-12-9-10/h3-6H,1-2H3/q+1
InChIKeyISNWIOFTDRUBFP-UHFFFAOYSA-N
MW178.00 g/mol
LogP1.68
Rot. Bonds2

About [4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium

[4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium (PubChem CID 20762722) has the molecular formula C8H10BFN3+ and a molecular weight of 178.00 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium
PubChem CID20762722
Molecular FormulaC8H10BFN3+
Molecular Weight178.00 g/mol
Exact Mass178.09
IUPAC Name[4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium
SMILESCN(C)c1ccc(N=[N+]=BF)cc1
InChIInChI=1S/C8H10BFN3/c1-13(2)8-5-3-7(4-6-8)11-12-9-10/h3-6H,1-2H3/q+1
InChIKeyISNWIOFTDRUBFP-UHFFFAOYSA-N
XLogP1.68
TPSA29.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-azido-N,N-dimethylaniline
CID 584035
4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
CID 9592
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide
CID 45261151
2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
CID 52944141
N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane
CID 158449614
N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
CID 145427736
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol
CID 136714423
4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
CID 90737220
bis(copper(1+));bis(dichloromethane);tetrakis(4-[2-[4-(dimethylamino)phenyl]iminoethylideneamino]-N,N-dimethylaniline);ditetrafluoroborate
CID 139052506

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium?
The IUPAC name of [4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium (CID 20762722) is [4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium.
What is the SMILES notation for [4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium?
The canonical SMILES for [4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium is CN(C)c1ccc(N=[N+]=BF)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium?
The InChIKey is ISNWIOFTDRUBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BFN3/c1-13(2)8-5-3-7(4-6-8)11-12-9-10/h3-6H,1-2H3/q+1.
What are the key properties of [4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium?
[4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium has a molecular weight of 178.00 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]imino-fluoroboranylideneazanium is sourced from PubChem (CID 20762722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).