(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate

C14H11F9IOP — CID 46901790

IUPAC(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate
SMILESCOc1ccc([I+]c2cccc(C(F)(F)F)c2)cc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H11F3IO.F6P/c1-19-13-7-5-11(6-8-13)18-12-4-2-3-10(9-12)14(15,16)17;1-7(2,3,4,5)6/h2-9H,1H3;/q+1;-1
InChIKeyXCWWRHVDKOGAAQ-UHFFFAOYSA-N
MW524.10 g/mol
LogP4.22
Rot. Bonds3

About (4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate

(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate (PubChem CID 46901790) has the molecular formula C14H11F9IOP and a molecular weight of 524.10 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate
PubChem CID46901790
Molecular FormulaC14H11F9IOP
Molecular Weight524.10 g/mol
Exact Mass523.94
IUPAC Name(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate
SMILESCOc1ccc([I+]c2cccc(C(F)(F)F)c2)cc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H11F3IO.F6P/c1-19-13-7-5-11(6-8-13)18-12-4-2-3-10(9-12)14(15,16)17;1-7(2,3,4,5)6/h2-9H,1H3;/q+1;-1
InChIKeyXCWWRHVDKOGAAQ-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.10
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenyl-[3-(trifluoromethyl)phenyl]iodanium bromide
CID 171372621
bis[3-(trifluoromethyl)phenyl]iodanium tetrafluoroborate
CID 155979684
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
[5-hexyl-2,3,4-tris[3-(trifluoromethyl)phenyl]phenyl]-(4-methoxyphenyl)iodanium
CID 159799175
(4-methoxyphenyl) 3-(trifluoromethyl)benzoate
CID 532434
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 15218997
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43481712
bis(3-methoxyphenyl)iodanium;trifluoromethanesulfonate
CID 175669103

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate?
The IUPAC name of (4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate (CID 46901790) is (4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate.
What is the SMILES notation for (4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate?
The canonical SMILES for (4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate is COc1ccc([I+]c2cccc(C(F)(F)F)c2)cc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of (4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate?
The InChIKey is XCWWRHVDKOGAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3IO.F6P/c1-19-13-7-5-11(6-8-13)18-12-4-2-3-10(9-12)14(15,16)17;1-7(2,3,4,5)6/h2-9H,1H3;/q+1;-1.
What are the key properties of (4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate?
(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate has a molecular weight of 524.10 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]iodanium hexafluorophosphate is sourced from PubChem (CID 46901790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).