2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline

C8H11FNOP — CID 168846953

IUPAC2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline
SMILES[2H]C([2H])([2H])P(=O)(c1cc(F)ccc1N)C([2H])([2H])[2H]
InChIInChI=1S/C8H11FNOP/c1-12(2,11)8-5-6(9)3-4-7(8)10/h3-5H,10H2,1-2H3/i1D3,2D3
InChIKeyKKDZPJAROYVZPM-WFGJKAKNSA-N
MW193.19 g/mol
LogP1.66
Rot. Bonds3

About 2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline

2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline (PubChem CID 168846953) has the molecular formula C8H11FNOP and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline
PubChem CID168846953
Molecular FormulaC8H11FNOP
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline
SMILES[2H]C([2H])([2H])P(=O)(c1cc(F)ccc1N)C([2H])([2H])[2H]
InChIInChI=1S/C8H11FNOP/c1-12(2,11)8-5-6(9)3-4-7(8)10/h3-5H,10H2,1-2H3/i1D3,2D3
InChIKeyKKDZPJAROYVZPM-WFGJKAKNSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphoryl-4-(trifluoromethyl)aniline
CID 167459884
4-amino-3-dimethylphosphorylbenzonitrile
CID 162361781
2,4-difluoroaniline;hydrofluoride
CID 170944018
2,4-difluoroaniline;methane
CID 155026278
2,5-difluoroaniline;ethane
CID 143759951
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
2-amino-N-tert-butyl-5-fluorobenzamide
CID 43132548
2-amino-5-fluorobenzenesulfinamide
CID 142349691
2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
CID 55294956
(Z)-2-(2-amino-5-fluorophenyl)but-2-enal
CID 143644911
4-fluoro-2-(4-methoxybutan-2-ylsulfinyl)aniline
CID 116500568
4-fluoro-2-propylaniline
CID 23348947

Frequently Asked Questions

What is the IUPAC name of 2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline?
The IUPAC name of 2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline (CID 168846953) is 2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline.
What is the SMILES notation for 2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline?
The canonical SMILES for 2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline is [2H]C([2H])([2H])P(=O)(c1cc(F)ccc1N)C([2H])([2H])[2H].
What is the InChIKey of 2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline?
The InChIKey is KKDZPJAROYVZPM-WFGJKAKNSA-N. The full InChI is InChI=1S/C8H11FNOP/c1-12(2,11)8-5-6(9)3-4-7(8)10/h3-5H,10H2,1-2H3/i1D3,2D3.
What are the key properties of 2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline?
2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline has a molecular weight of 193.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline is sourced from PubChem (CID 168846953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).