4-iodobenzenediazonium tetrafluoroborate

C6H4BF4IN2 — CID 11001648

IUPAC4-iodobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(I)cc1
InChIInChI=1S/C6H4IN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1
InChIKeyGDICCPWDNVDBPN-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.08
Rot. Bonds

About 4-iodobenzenediazonium tetrafluoroborate

4-iodobenzenediazonium tetrafluoroborate (PubChem CID 11001648) has the molecular formula C6H4BF4IN2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-iodobenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name4-iodobenzenediazonium tetrafluoroborate
PubChem CID11001648
Molecular FormulaC6H4BF4IN2
Molecular Weight317.82 g/mol
Exact Mass317.94
IUPAC Name4-iodobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(I)cc1
InChIInChI=1S/C6H4IN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1
InChIKeyGDICCPWDNVDBPN-UHFFFAOYSA-N
XLogP4.08
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Iodoaniline
CID 10893
3-Iodoaniline
CID 12271
2-Iodoaniline
CID 11995
Azidobenzene
CID 69319
2-Fluoro-4-iodoaniline
CID 185694
1-Azido-4-fluorobenzene
CID 10887974
3-Fluoro-4-iodoaniline
CID 15475546
2,4-Diiodoaniline
CID 350250
Benzenediazonium tetrafluoroborate
CID 5284485
4-Fluoro-2-iodoaniline
CID 2778283
1-Azido-4-iodobenzene
CID 3016836
Benzenediazonium
CID 9718

Frequently Asked Questions

What is the IUPAC name of 4-iodobenzenediazonium tetrafluoroborate?
The IUPAC name of 4-iodobenzenediazonium tetrafluoroborate (CID 11001648) is 4-iodobenzenediazonium tetrafluoroborate.
What is the SMILES notation for 4-iodobenzenediazonium tetrafluoroborate?
The canonical SMILES for 4-iodobenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccc(I)cc1.
What is the InChIKey of 4-iodobenzenediazonium tetrafluoroborate?
The InChIKey is GDICCPWDNVDBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1.
What are the key properties of 4-iodobenzenediazonium tetrafluoroborate?
4-iodobenzenediazonium tetrafluoroborate has a molecular weight of 317.82 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobenzenediazonium tetrafluoroborate is sourced from PubChem (CID 11001648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).