benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate

C12H22BF4N6OP — CID 140856559

IUPACbenzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate
SMILESCN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[B-](F)(F)F
InChIInChI=1S/C12H22N6OP.BF4/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;2-1(3,4)5/h7-10H,1-6H3;/q+1;-1
InChIKeyZPGIDJDMQDLSMD-UHFFFAOYSA-N
MW384.13 g/mol
LogP2.52
Rot. Bonds5

About benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate

benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate (PubChem CID 140856559) has the molecular formula C12H22BF4N6OP and a molecular weight of 384.13 g/mol. Its IUPAC name is benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate.

Molecular Properties

Compound Namebenzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate
PubChem CID140856559
Molecular FormulaC12H22BF4N6OP
Molecular Weight384.13 g/mol
Exact Mass384.16
IUPAC Namebenzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate
SMILESCN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[B-](F)(F)F
InChIInChI=1S/C12H22N6OP.BF4/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;2-1(3,4)5/h7-10H,1-6H3;/q+1;-1
InChIKeyZPGIDJDMQDLSMD-UHFFFAOYSA-N
XLogP2.52
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.13
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzotriazol-1-yloxy-bis(dimethylamino)phosphanium
CID 19790982
1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine
CID 141407796
N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
CID 159393127
[benzotriazol-1-ylperoxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
CID 87275340
methane;1-methoxybenzotriazole
CID 161160564
dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 19037436
CID 68739763
CID 68739763
(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
CID 130556874
1-(propan-2-yloxymethoxy)benzotriazole
CID 121265115
1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 70885057
copper;tetrakis(1-methylbenzotriazole);hydrate
CID 5259674
benzotriazol-1-yloxy-tert-butyl-diphenylsilane
CID 71061634

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate?
The IUPAC name of benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate (CID 140856559) is benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate.
What is the SMILES notation for benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate?
The canonical SMILES for benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate is CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[B-](F)(F)F.
What is the InChIKey of benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate?
The InChIKey is ZPGIDJDMQDLSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6OP.BF4/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;2-1(3,4)5/h7-10H,1-6H3;/q+1;-1.
What are the key properties of benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate?
benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate has a molecular weight of 384.13 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate is sourced from PubChem (CID 140856559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).