N-diphenylphosphoryl-4-fluoroaniline

C18H15FNOP — CID 23234466

IUPACN-diphenylphosphoryl-4-fluoroaniline
SMILESO=P(Nc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15FNOP/c19-15-11-13-16(14-12-15)20-22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H,20,21)
InChIKeyKQDHSQYPHDJHDJ-UHFFFAOYSA-N
MW311.30 g/mol
LogP4.17
Rot. Bonds4

About N-diphenylphosphoryl-4-fluoroaniline

N-diphenylphosphoryl-4-fluoroaniline (PubChem CID 23234466) has the molecular formula C18H15FNOP and a molecular weight of 311.30 g/mol. Its IUPAC name is N-diphenylphosphoryl-4-fluoroaniline.

Molecular Properties

Compound NameN-diphenylphosphoryl-4-fluoroaniline
PubChem CID23234466
Molecular FormulaC18H15FNOP
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC NameN-diphenylphosphoryl-4-fluoroaniline
SMILESO=P(Nc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15FNOP/c19-15-11-13-16(14-12-15)20-22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H,20,21)
InChIKeyKQDHSQYPHDJHDJ-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-4-fluoroaniline?
The IUPAC name of N-diphenylphosphoryl-4-fluoroaniline (CID 23234466) is N-diphenylphosphoryl-4-fluoroaniline.
What is the SMILES notation for N-diphenylphosphoryl-4-fluoroaniline?
The canonical SMILES for N-diphenylphosphoryl-4-fluoroaniline is O=P(Nc1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-4-fluoroaniline?
The InChIKey is KQDHSQYPHDJHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FNOP/c19-15-11-13-16(14-12-15)20-22(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H,20,21).
What are the key properties of N-diphenylphosphoryl-4-fluoroaniline?
N-diphenylphosphoryl-4-fluoroaniline has a molecular weight of 311.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-4-fluoroaniline is sourced from PubChem (CID 23234466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).