2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate

C7H5BF6N2 — CID 23359005

IUPAC2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate
SMILESCc1c(F)ccc([N+]#N)c1F.F[B-](F)(F)F
InChIInChI=1S/C7H5F2N2.BF4/c1-4-5(8)2-3-6(11-10)7(4)9;2-1(3,4)5/h2-3H,1H3;/q+1;-1
InChIKeyRUSVIWGMSSJRKR-UHFFFAOYSA-N
MW241.93 g/mol
LogP4.06
Rot. Bonds

About 2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate

2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate (PubChem CID 23359005) has the molecular formula C7H5BF6N2 and a molecular weight of 241.93 g/mol. Its IUPAC name is 2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate
PubChem CID23359005
Molecular FormulaC7H5BF6N2
Molecular Weight241.93 g/mol
Exact Mass242.04
IUPAC Name2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate
SMILESCc1c(F)ccc([N+]#N)c1F.F[B-](F)(F)F
InChIInChI=1S/C7H5F2N2.BF4/c1-4-5(8)2-3-6(11-10)7(4)9;2-1(3,4)5/h2-3H,1H3;/q+1;-1
InChIKeyRUSVIWGMSSJRKR-UHFFFAOYSA-N
XLogP4.06
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.93
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate?
The IUPAC name of 2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate (CID 23359005) is 2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate.
What is the SMILES notation for 2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate?
The canonical SMILES for 2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate is Cc1c(F)ccc([N+]#N)c1F.F[B-](F)(F)F.
What is the InChIKey of 2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate?
The InChIKey is RUSVIWGMSSJRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N2.BF4/c1-4-5(8)2-3-6(11-10)7(4)9;2-1(3,4)5/h2-3H,1H3;/q+1;-1.
What are the key properties of 2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate?
2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate has a molecular weight of 241.93 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate is sourced from PubChem (CID 23359005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).