triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane

C23H15F6P — CID 23418758

IUPACtriphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane
SMILESFC(F)(F)C(=C=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H15F6P/c24-22(25,26)21(23(27,28)29)16-17-30(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H
InChIKeyQKTCGOOSNXZWQK-UHFFFAOYSA-N
MW436.34 g/mol
LogP5.59
Rot. Bonds3

About triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane

triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane (PubChem CID 23418758) has the molecular formula C23H15F6P and a molecular weight of 436.34 g/mol. Its IUPAC name is triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane.

Molecular Properties

Compound Nametriphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane
PubChem CID23418758
Molecular FormulaC23H15F6P
Molecular Weight436.34 g/mol
Exact Mass436.08
IUPAC Nametriphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane
SMILESFC(F)(F)C(=C=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H15F6P/c24-22(25,26)21(23(27,28)29)16-17-30(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H
InChIKeyQKTCGOOSNXZWQK-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-3-(triphenyl-λ5-phosphanylidene)propane-2-thione
CID 54231803
chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)
CID 88761085
[hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid
CID 118861926
phenyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 118440971
1,1,1-trifluoro-3-(triphenyl-λ5-phosphanylidene)pentan-2-one
CID 15014407
triphenyl(2-phenylethenylidene)-λ5-phosphane
CID 12530584
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane
CID 134984617
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone
CID 172831491
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion
CID 50909156

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane?
The IUPAC name of triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane (CID 23418758) is triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane.
What is the SMILES notation for triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane?
The canonical SMILES for triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane is FC(F)(F)C(=C=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane?
The InChIKey is QKTCGOOSNXZWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6P/c24-22(25,26)21(23(27,28)29)16-17-30(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H.
What are the key properties of triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane?
triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane has a molecular weight of 436.34 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-dienylidene]-λ5-phosphane is sourced from PubChem (CID 23418758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).