4-propylbenzenediazonium tetrafluoroborate

C9H11BF4N2 — CID 82974034

IUPAC4-propylbenzenediazonium tetrafluoroborate
SMILESCCCc1ccc([N+]#N)cc1.F[B-](F)(F)F
InChIInChI=1S/C9H11N2.BF4/c1-2-3-8-4-6-9(11-10)7-5-8;2-1(3,4)5/h4-7H,2-3H2,1H3;/q+1;-1
InChIKeyQQYIYGUBTLXPEB-UHFFFAOYSA-N
MW234.01 g/mol
LogP4.42
Rot. Bonds2

About 4-propylbenzenediazonium tetrafluoroborate

4-propylbenzenediazonium tetrafluoroborate (PubChem CID 82974034) has the molecular formula C9H11BF4N2 and a molecular weight of 234.01 g/mol. Its IUPAC name is 4-propylbenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name4-propylbenzenediazonium tetrafluoroborate
PubChem CID82974034
Molecular FormulaC9H11BF4N2
Molecular Weight234.01 g/mol
Exact Mass234.10
IUPAC Name4-propylbenzenediazonium tetrafluoroborate
SMILESCCCc1ccc([N+]#N)cc1.F[B-](F)(F)F
InChIInChI=1S/C9H11N2.BF4/c1-2-3-8-4-6-9(11-10)7-5-8;2-1(3,4)5/h4-7H,2-3H2,1H3;/q+1;-1
InChIKeyQQYIYGUBTLXPEB-UHFFFAOYSA-N
XLogP4.42
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.01
LogP ≤ 54.42
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'}

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Related Compounds

benzene-1,4-didiazonium tetrafluoroborate
CID 87828141
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate
CID 87207781
4-icosylbenzenediazonium;zinc;dichloride
CID 161323035
4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium
CID 100984232
4-(diethylamino)benzenediazonium ditetrafluoroborate
CID 88803254
1-fluoro-4-propylbenzene
CID 2737505
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
CID 174424801
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
CID 175306290
CID 175306290
4-(isocyanomethyl)benzenediazonium
CID 59660828
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537

Frequently Asked Questions

What is the IUPAC name of 4-propylbenzenediazonium tetrafluoroborate?
The IUPAC name of 4-propylbenzenediazonium tetrafluoroborate (CID 82974034) is 4-propylbenzenediazonium tetrafluoroborate.
What is the SMILES notation for 4-propylbenzenediazonium tetrafluoroborate?
The canonical SMILES for 4-propylbenzenediazonium tetrafluoroborate is CCCc1ccc([N+]#N)cc1.F[B-](F)(F)F.
What is the InChIKey of 4-propylbenzenediazonium tetrafluoroborate?
The InChIKey is QQYIYGUBTLXPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2.BF4/c1-2-3-8-4-6-9(11-10)7-5-8;2-1(3,4)5/h4-7H,2-3H2,1H3;/q+1;-1.
What are the key properties of 4-propylbenzenediazonium tetrafluoroborate?
4-propylbenzenediazonium tetrafluoroborate has a molecular weight of 234.01 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylbenzenediazonium tetrafluoroborate is sourced from PubChem (CID 82974034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).