N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine

C8H10FN4OP — CID 159393127

IUPACN-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(F)On1nnc2ccccc21
InChIInChI=1S/C8H10FN4OP/c1-12(2)15(9)14-13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3
InChIKeyVRECGQMKZDHJBE-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.62
Rot. Bonds3

About N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine

N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine (PubChem CID 159393127) has the molecular formula C8H10FN4OP and a molecular weight of 228.17 g/mol. Its IUPAC name is N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
PubChem CID159393127
Molecular FormulaC8H10FN4OP
Molecular Weight228.17 g/mol
Exact Mass228.06
IUPAC NameN-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(F)On1nnc2ccccc21
InChIInChI=1S/C8H10FN4OP/c1-12(2)15(9)14-13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3
InChIKeyVRECGQMKZDHJBE-UHFFFAOYSA-N
XLogP1.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine
CID 141407796
benzotriazol-1-yloxy-bis(dimethylamino)phosphanium
CID 19790982
methane;1-methoxybenzotriazole
CID 161160564
benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate
CID 140856559
benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane
CID 148781712
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
benzotriazol-1-yl 2-(methylamino)acetate
CID 58945313
1-(propan-2-yloxymethoxy)benzotriazole
CID 121265115

Frequently Asked Questions

What is the IUPAC name of N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine (CID 159393127) is N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine is CN(C)P(F)On1nnc2ccccc21.
What is the InChIKey of N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine?
The InChIKey is VRECGQMKZDHJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN4OP/c1-12(2)15(9)14-13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3.
What are the key properties of N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine?
N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine has a molecular weight of 228.17 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 159393127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).