2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline

C24H11F10N2P — CID 86033808

About 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline

2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline (PubChem CID 86033808) has the molecular formula C24H11F10N2P and a molecular weight of 548.32 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline.

Molecular Properties

• Compound Name: 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline
• PubChem CID: 86033808
• Molecular Formula: C24H11F10N2P
• Molecular Weight: 548.32 g/mol
• Exact Mass: 548.05
• IUPAC Name: 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline
• SMILES: Fc1c(F)c(F)c(N=P(Nc2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)c2ccccc2)c(F)c1F
• InChI: InChI=1S/C24H11F10N2P/c25-13-15(27)19(31)23(20(32)16(13)28)35-37(11-7-3-1-4-8-11,12-9-5-2-6-10-12)36-24-21(33)17(29)14(26)18(30)22(24)34/h1-10,35H
• InChIKey: RITOJVAPBBSCQU-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.32
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline?

The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline (CID 86033808) is 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline.

What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline?

The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline is Fc1c(F)c(F)c(N=P(Nc2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)c2ccccc2)c(F)c1F.

What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline?

The InChIKey is RITOJVAPBBSCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11F10N2P/c25-13-15(27)19(31)23(20(32)16(13)28)35-37(11-7-3-1-4-8-11,12-9-5-2-6-10-12)36-24-21(33)17(29)14(26)18(30)22(24)34/h1-10,35H.

What are the key properties of 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline?

2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline has a molecular weight of 548.32 g/mol, XLogP of 7.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline is sourced from PubChem (CID 86033808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).