iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium

C19H14F3IP+ — CID 91571703

IUPACiodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium
SMILESFC(F)(F)c1cccc([P+](I)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H14F3IP/c20-19(21,22)15-8-7-13-18(14-15)24(23,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H/q+1
InChIKeyOVQQLCJSJIQFER-UHFFFAOYSA-N
MW457.19 g/mol
LogP5.35
Rot. Bonds3

About iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium

iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium (PubChem CID 91571703) has the molecular formula C19H14F3IP+ and a molecular weight of 457.19 g/mol. Its IUPAC name is iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium.

Molecular Properties

Compound Nameiodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium
PubChem CID91571703
Molecular FormulaC19H14F3IP+
Molecular Weight457.19 g/mol
Exact Mass456.98
IUPAC Nameiodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium
SMILESFC(F)(F)c1cccc([P+](I)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H14F3IP/c20-19(21,22)15-8-7-13-18(14-15)24(23,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H/q+1
InChIKeyOVQQLCJSJIQFER-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.19
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
CID 11114323
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
CID 86152769
CID 86152769
aniline;3-(trifluoromethyl)aniline
CID 160634583
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
CID 124554901
2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane
CID 13332989
1-(4-phenylbuta-1,3-diynyl)-3-(trifluoromethyl)benzene
CID 102444082
triphenyl(trifluoromethyl)phosphanium bromide
CID 175212392
ethane;bis(trifluoromethylbenzene)
CID 142912000
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
phenyl-[3-(trifluoromethyl)phenyl]iodanium bromide
CID 171372621

Frequently Asked Questions

What is the IUPAC name of iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium?
The IUPAC name of iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium (CID 91571703) is iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium.
What is the SMILES notation for iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium?
The canonical SMILES for iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium is FC(F)(F)c1cccc([P+](I)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium?
The InChIKey is OVQQLCJSJIQFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3IP/c20-19(21,22)15-8-7-13-18(14-15)24(23,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H/q+1.
What are the key properties of iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium?
iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium has a molecular weight of 457.19 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium is sourced from PubChem (CID 91571703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).