[2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate

C13H9BF7I — CID 87834390

IUPAC[2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate
SMILESFC(F)(F)c1ccc(-c2ccccc2[IH+])cc1.F[B-](F)(F)F
InChIInChI=1S/C13H9F3I.BF4/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17;2-1(3,4)5/h1-8,17H;/q+1;-1
InChIKeyKIFPBXXPTRZVJI-UHFFFAOYSA-N
MW435.92 g/mol
LogP2.13
Rot. Bonds1

About [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate

[2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate (PubChem CID 87834390) has the molecular formula C13H9BF7I and a molecular weight of 435.92 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate
PubChem CID87834390
Molecular FormulaC13H9BF7I
Molecular Weight435.92 g/mol
Exact Mass435.97
IUPAC Name[2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate
SMILESFC(F)(F)c1ccc(-c2ccccc2[IH+])cc1.F[B-](F)(F)F
InChIInChI=1S/C13H9F3I.BF4/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17;2-1(3,4)5/h1-8,17H;/q+1;-1
InChIKeyKIFPBXXPTRZVJI-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
[2-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 138671682
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 54911995
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene
CID 119018049
tert-butyl 2-[4-(trifluoromethyl)phenyl]benzenecarboperoxoate
CID 174839382
5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
CID 59282523
2-fluoro-3-[4-(trifluoromethyl)phenyl]aniline
CID 134624111
1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 139967906
3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene
CID 102358532
[2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 151698455

Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate?
The IUPAC name of [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate (CID 87834390) is [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate.
What is the SMILES notation for [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate?
The canonical SMILES for [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate is FC(F)(F)c1ccc(-c2ccccc2[IH+])cc1.F[B-](F)(F)F.
What is the InChIKey of [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate?
The InChIKey is KIFPBXXPTRZVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3I.BF4/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17;2-1(3,4)5/h1-8,17H;/q+1;-1.
What are the key properties of [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate?
[2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate has a molecular weight of 435.92 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate is sourced from PubChem (CID 87834390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).