1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine

C11H16FN5O — CID 141407796

IUPAC1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine
SMILESCN(C)C(F)(On1nnc2ccccc21)N(C)C
InChIInChI=1S/C11H16FN5O/c1-15(2)11(12,16(3)4)18-17-10-8-6-5-7-9(10)13-14-17/h5-8H,1-4H3
InChIKeyJVIVSLWKDZYVBD-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.56
Rot. Bonds4

About 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine

1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine (PubChem CID 141407796) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine.

Molecular Properties

Compound Name1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine
PubChem CID141407796
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine
SMILESCN(C)C(F)(On1nnc2ccccc21)N(C)C
InChIInChI=1S/C11H16FN5O/c1-15(2)11(12,16(3)4)18-17-10-8-6-5-7-9(10)13-14-17/h5-8H,1-4H3
InChIKeyJVIVSLWKDZYVBD-UHFFFAOYSA-N
XLogP0.56
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine 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

N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
CID 159393127
benzotriazol-1-yloxy-bis(dimethylamino)phosphanium
CID 19790982
methane;1-methoxybenzotriazole
CID 161160564
benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate
CID 140856559
1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 70885057
dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 19037436
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
benzotriazol-1-yloxy-tert-butyl-diphenylsilane
CID 71061634
[benzotriazol-1-ylperoxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
CID 87275340
[benzotriazol-1-ylperoxy(dimethylamino)methylidene]-dimethylazanium chloride
CID 139908875
1-(1,2-dibromo-3,3,3-trifluoropropyl)benzotriazole
CID 162787629
1-(propan-2-yloxymethoxy)benzotriazole
CID 121265115

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine?
The IUPAC name of 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine (CID 141407796) is 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine.
What is the SMILES notation for 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine?
The canonical SMILES for 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine is CN(C)C(F)(On1nnc2ccccc21)N(C)C.
What is the InChIKey of 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine?
The InChIKey is JVIVSLWKDZYVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-15(2)11(12,16(3)4)18-17-10-8-6-5-7-9(10)13-14-17/h5-8H,1-4H3.
What are the key properties of 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine?
1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine has a molecular weight of 253.28 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine is sourced from PubChem (CID 141407796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).