[4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium

C28H24F4OPS+ — CID 134222875

IUPAC[4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium
SMILESFCCOc1ccc([P+](Cc2ccc(SC(F)(F)F)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24F4OPS/c29-19-20-33-23-13-15-26(16-14-23)34(24-7-3-1-4-8-24,25-9-5-2-6-10-25)21-22-11-17-27(18-12-22)35-28(30,31)32/h1-18H,19-21H2/q+1
InChIKeyIIZRTEZBMVFLTC-UHFFFAOYSA-N
MW515.53 g/mol
LogP7.14
Rot. Bonds9

About [4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium

[4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium (PubChem CID 134222875) has the molecular formula C28H24F4OPS+ and a molecular weight of 515.53 g/mol. Its IUPAC name is [4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium.

Molecular Properties

Compound Name[4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium
PubChem CID134222875
Molecular FormulaC28H24F4OPS+
Molecular Weight515.53 g/mol
Exact Mass515.12
IUPAC Name[4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium
SMILESFCCOc1ccc([P+](Cc2ccc(SC(F)(F)F)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24F4OPS/c29-19-20-33-23-13-15-26(16-14-23)34(24-7-3-1-4-8-24,25-9-5-2-6-10-25)21-22-11-17-27(18-12-22)35-28(30,31)32/h1-18H,19-21H2/q+1
InChIKeyIIZRTEZBMVFLTC-UHFFFAOYSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.53
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium?
The IUPAC name of [4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium (CID 134222875) is [4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium.
What is the SMILES notation for [4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium?
The canonical SMILES for [4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium is FCCOc1ccc([P+](Cc2ccc(SC(F)(F)F)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium?
The InChIKey is IIZRTEZBMVFLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4OPS/c29-19-20-33-23-13-15-26(16-14-23)34(24-7-3-1-4-8-24,25-9-5-2-6-10-25)21-22-11-17-27(18-12-22)35-28(30,31)32/h1-18H,19-21H2/q+1.
What are the key properties of [4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium?
[4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium has a molecular weight of 515.53 g/mol, XLogP of 7.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroethoxy)phenyl]-diphenyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]phosphanium is sourced from PubChem (CID 134222875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).