diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane

C22H17F3N3P — CID 102256886

IUPACdiphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane
SMILESFC(F)(F)c1ccc(-c2cn(CP(c3ccccc3)c3ccccc3)nn2)cc1
InChIInChI=1S/C22H17F3N3P/c23-22(24,25)18-13-11-17(12-14-18)21-15-28(27-26-21)16-29(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,16H2
InChIKeyMDAGWORYMIIVBM-UHFFFAOYSA-N
MW411.37 g/mol
LogP5.05
Rot. Bonds5

About diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane

diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane (PubChem CID 102256886) has the molecular formula C22H17F3N3P and a molecular weight of 411.37 g/mol. Its IUPAC name is diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane
PubChem CID102256886
Molecular FormulaC22H17F3N3P
Molecular Weight411.37 g/mol
Exact Mass411.11
IUPAC Namediphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane
SMILESFC(F)(F)c1ccc(-c2cn(CP(c3ccccc3)c3ccccc3)nn2)cc1
InChIInChI=1S/C22H17F3N3P/c23-22(24,25)18-13-11-17(12-14-18)21-15-28(27-26-21)16-29(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,16H2
InChIKeyMDAGWORYMIIVBM-UHFFFAOYSA-N
XLogP5.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2,2,3,3,4,4,5,5-octafluoro-6-(4-phenyltriazol-1-yl)hexyl]-4-phenyltriazole
CID 118906956
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
trifluoro-[(4-phenyltriazol-1-yl)methyl]boranuide
CID 102386878
2-phenyl-1,3-bis(4-phenyltriazol-1-yl)propan-2-ol
CID 137350411
2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine
CID 122389020
[2-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]spiro[2.3]hexan-2-yl]methanamine
CID 166325528
1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]triazole
CID 150482255
2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 163355208
1-(azetidin-3-ylmethyl)-4-phenyltriazole
CID 86262228
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
1-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]triazole
CID 53483046
3-phenyl-5-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]benzoic acid
CID 175917729

Frequently Asked Questions

What is the IUPAC name of diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane?
The IUPAC name of diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane (CID 102256886) is diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane.
What is the SMILES notation for diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane?
The canonical SMILES for diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane is FC(F)(F)c1ccc(-c2cn(CP(c3ccccc3)c3ccccc3)nn2)cc1.
What is the InChIKey of diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane?
The InChIKey is MDAGWORYMIIVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N3P/c23-22(24,25)18-13-11-17(12-14-18)21-15-28(27-26-21)16-29(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,16H2.
What are the key properties of diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane?
diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane has a molecular weight of 411.37 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane is sourced from PubChem (CID 102256886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).