N-[(4-fluorophenoxy)-methylphosphoryl]aniline

C13H13FNO2P — CID 752278

IUPACN-[(4-fluorophenoxy)-methylphosphoryl]aniline
SMILESCP(=O)(Nc1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C13H13FNO2P/c1-18(16,15-12-5-3-2-4-6-12)17-13-9-7-11(14)8-10-13/h2-10H,1H3,(H,15,16)
InChIKeyIUKPEFZJTMBDAF-UHFFFAOYSA-N
MW265.22 g/mol
LogP4.14
Rot. Bonds4

About N-[(4-fluorophenoxy)-methylphosphoryl]aniline

N-[(4-fluorophenoxy)-methylphosphoryl]aniline (PubChem CID 752278) has the molecular formula C13H13FNO2P and a molecular weight of 265.22 g/mol. Its IUPAC name is N-[(4-fluorophenoxy)-methylphosphoryl]aniline.

Molecular Properties

Compound NameN-[(4-fluorophenoxy)-methylphosphoryl]aniline
PubChem CID752278
Molecular FormulaC13H13FNO2P
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC NameN-[(4-fluorophenoxy)-methylphosphoryl]aniline
SMILESCP(=O)(Nc1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C13H13FNO2P/c1-18(16,15-12-5-3-2-4-6-12)17-13-9-7-11(14)8-10-13/h2-10H,1H3,(H,15,16)
InChIKeyIUKPEFZJTMBDAF-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl N-phenylphosphoramidate
CID 19708
Phosphoric acid, p-aminophenyl diethyl ester
CID 197934
phenyl N-(3-bromophenyl)-P-methylphosphonamidate
CID 2305287
N-[(4-fluorophenoxy)-methylphosphoryl]-4-(trifluoromethylsulfanyl)aniline
CID 1379947
Phosphoramidochloridic acid, N-phenyl-, phenyl ester
CID 103959
p-Aminophenol phosphate
CID 122271
4-Chloro-N-[(4-fluorophenoxy)(methyl)phosphoryl]aniline
CID 752280
N-bis(2-fluorophenoxy)phosphoryl-2-methylaniline
CID 1618088
Bis(3-methylphenyl) (4-fluorophenyl)amidophosphate
CID 2067177
N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline
CID 2244588
N-[methyl(phenoxy)phosphoryl]-4-(trifluoromethylsulfanyl)aniline
CID 2306311
2-fluoro-N-[methyl(phenoxy)phosphoryl]aniline
CID 2313145

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenoxy)-methylphosphoryl]aniline?
The IUPAC name of N-[(4-fluorophenoxy)-methylphosphoryl]aniline (CID 752278) is N-[(4-fluorophenoxy)-methylphosphoryl]aniline.
What is the SMILES notation for N-[(4-fluorophenoxy)-methylphosphoryl]aniline?
The canonical SMILES for N-[(4-fluorophenoxy)-methylphosphoryl]aniline is CP(=O)(Nc1ccccc1)Oc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenoxy)-methylphosphoryl]aniline?
The InChIKey is IUKPEFZJTMBDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FNO2P/c1-18(16,15-12-5-3-2-4-6-12)17-13-9-7-11(14)8-10-13/h2-10H,1H3,(H,15,16).
What are the key properties of N-[(4-fluorophenoxy)-methylphosphoryl]aniline?
N-[(4-fluorophenoxy)-methylphosphoryl]aniline has a molecular weight of 265.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenoxy)-methylphosphoryl]aniline is sourced from PubChem (CID 752278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).