N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline

C21H20F2NO3P — CID 2067423

IUPACN-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)c(C)c1
InChIInChI=1S/C21H20F2NO3P/c1-14-12-15(2)21(16(3)13-14)24-28(25,26-19-10-6-4-8-17(19)22)27-20-11-7-5-9-18(20)23/h4-13H,1-3H3,(H,24,25)
InChIKeyJNJNBERUGGBHDF-UHFFFAOYSA-N
MW403.37 g/mol
LogP6.57
Rot. Bonds6

About N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline

N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline (PubChem CID 2067423) has the molecular formula C21H20F2NO3P and a molecular weight of 403.37 g/mol. Its IUPAC name is N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline
PubChem CID2067423
Molecular FormulaC21H20F2NO3P
Molecular Weight403.37 g/mol
Exact Mass403.11
IUPAC NameN-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)c(C)c1
InChIInChI=1S/C21H20F2NO3P/c1-14-12-15(2)21(16(3)13-14)24-28(25,26-19-10-6-4-8-17(19)22)27-20-11-7-5-9-18(20)23/h4-13H,1-3H3,(H,24,25)
InChIKeyJNJNBERUGGBHDF-UHFFFAOYSA-N
XLogP6.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.37
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline
CID 19630519
N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline
CID 2313179
N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline
CID 2313149
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842401
1-diethylphosphoryloxy-2-fluorobenzene
CID 66797040
N-bis(2,3-dimethylphenoxy)phosphoryl-2,5-dimethylaniline
CID 2313168
2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478596
3-[2-(2-fluorobenzoyl)hydrazinyl]-N-(2,4,6-trimethylphenyl)but-2-enamide
CID 4130260
N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512223
(3-fluoro-2-methylphenyl) dihydrogen phosphate
CID 122607374
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene
CID 87247575

Frequently Asked Questions

What is the IUPAC name of N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline?
The IUPAC name of N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline (CID 2067423) is N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline.
What is the SMILES notation for N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline?
The canonical SMILES for N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline is Cc1cc(C)c(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)c(C)c1.
What is the InChIKey of N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline?
The InChIKey is JNJNBERUGGBHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2NO3P/c1-14-12-15(2)21(16(3)13-14)24-28(25,26-19-10-6-4-8-17(19)22)27-20-11-7-5-9-18(20)23/h4-13H,1-3H3,(H,24,25).
What are the key properties of N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline?
N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline has a molecular weight of 403.37 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline is sourced from PubChem (CID 2067423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).