2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline

C25H14F8NOP — CID 102369214

IUPAC2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline
SMILESO=P(Nc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H14F8NOP/c26-19-20(27)22(29)24(23(30)21(19)28)34-36(35,16-6-2-1-3-7-16)18-9-5-4-8-17(18)14-10-12-15(13-11-14)25(31,32)33/h1-13H,(H,34,35)
InChIKeyNHFZAQMZCFSFLJ-UHFFFAOYSA-N
MW527.35 g/mol
LogP7.41
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline

2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline (PubChem CID 102369214) has the molecular formula C25H14F8NOP and a molecular weight of 527.35 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline
PubChem CID102369214
Molecular FormulaC25H14F8NOP
Molecular Weight527.35 g/mol
Exact Mass527.07
IUPAC Name2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline
SMILESO=P(Nc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H14F8NOP/c26-19-20(27)22(29)24(23(30)21(19)28)34-36(35,16-6-2-1-3-7-16)18-9-5-4-8-17(18)14-10-12-15(13-11-14)25(31,32)33/h1-13H,(H,34,35)
InChIKeyNHFZAQMZCFSFLJ-UHFFFAOYSA-N
XLogP7.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.35
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline
CID 102369204
2,3,4,5,6-pentafluoro-N-[[2-(4-methylphenyl)phenyl]-phenylphosphoryl]aniline
CID 102369210
2,3,4,5,6-pentafluoro-N-[(3-methylphenyl)-[5-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline
CID 132504754
2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole
CID 166447225
2,2,2-trichloro-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 122369834
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
1-[methyl(phenyl)phosphoryl]-2-phenylbenzene
CID 44633937
[2-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 138671682
2-fluoro-3-[4-(trifluoromethyl)phenyl]aniline
CID 134624111
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 152781290

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline (CID 102369214) is 2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline is O=P(Nc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline?
The InChIKey is NHFZAQMZCFSFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F8NOP/c26-19-20(27)22(29)24(23(30)21(19)28)34-36(35,16-6-2-1-3-7-16)18-9-5-4-8-17(18)14-10-12-15(13-11-14)25(31,32)33/h1-13H,(H,34,35).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline?
2,3,4,5,6-pentafluoro-N-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline has a molecular weight of 527.35 g/mol, XLogP of 7.41, 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-[phenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphoryl]aniline is sourced from PubChem (CID 102369214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).