[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane

C22H15F9NP — CID 134984617

IUPAC[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane
SMILESFC(F)(F)C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H15F9NP/c23-20(24,25)19(21(26,27)28,22(29,30)31)32-33(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyQYNJCUXUTMTLQX-UHFFFAOYSA-N
MW495.33 g/mol
LogP6.59
Rot. Bonds4

About [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane

[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane (PubChem CID 134984617) has the molecular formula C22H15F9NP and a molecular weight of 495.33 g/mol. Its IUPAC name is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane
PubChem CID134984617
Molecular FormulaC22H15F9NP
Molecular Weight495.33 g/mol
Exact Mass495.08
IUPAC Name[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane
SMILESFC(F)(F)C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H15F9NP/c23-20(24,25)19(21(26,27)28,22(29,30)31)32-33(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyQYNJCUXUTMTLQX-UHFFFAOYSA-N
XLogP6.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.33
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane
CID 170059377
1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene
CID 78061620
(2,3,4,5,6-pentafluorophenyl)imino-triphenyl-λ5-phosphane
CID 71362132
diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium
CID 5257507
bis(tetrafluoro(methyl)silanuide);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium)
CID 139163376
triphenyl-[4-(4-phenylphenyl)phenyl]imino-λ5-phosphane
CID 101426516
[diphenyl(sulfamoylimino)-lambda5-phosphanyl]benzene
CID 15191029
4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid
CID 11452277
1,1,2,2,2-pentafluoroethyl(phenyl)sulfanium
CID 151139469
[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane
CID 134935311
(4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane
CID 102250430
[2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane
CID 4120894

Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane?
The IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane (CID 134984617) is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane.
What is the SMILES notation for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane?
The canonical SMILES for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane is FC(F)(F)C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane?
The InChIKey is QYNJCUXUTMTLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F9NP/c23-20(24,25)19(21(26,27)28,22(29,30)31)32-33(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane?
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane has a molecular weight of 495.33 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane is sourced from PubChem (CID 134984617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).