2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate

C7H2BCl2F7N2O — CID 87286976

IUPAC2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1c(Cl)cc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C7H2Cl2F3N2O.BF4/c8-4-1-3(15-7(10,11)12)2-5(9)6(4)14-13;2-1(3,4)5/h1-2H;/q+1;-1
InChIKeyLYZBTRQPUGLOPZ-UHFFFAOYSA-N
MW344.81 g/mol
LogP5.68
Rot. Bonds1

About 2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate

2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate (PubChem CID 87286976) has the molecular formula C7H2BCl2F7N2O and a molecular weight of 344.81 g/mol. Its IUPAC name is 2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate
PubChem CID87286976
Molecular FormulaC7H2BCl2F7N2O
Molecular Weight344.81 g/mol
Exact Mass343.95
IUPAC Name2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1c(Cl)cc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C7H2Cl2F3N2O.BF4/c8-4-1-3(15-7(10,11)12)2-5(9)6(4)14-13;2-1(3,4)5/h1-2H;/q+1;-1
InChIKeyLYZBTRQPUGLOPZ-UHFFFAOYSA-N
XLogP5.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.81
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-chloro-5-(trifluoromethoxy)benzene-1,2-diamine
CID 118807866
1,2-dibromo-3-chloro-5-(trifluoromethoxy)benzene
CID 171006403
2-(aminomethyl)-6-chloro-4-(trifluoromethoxy)aniline
CID 119001858
2-amino-6-chloro-4-(trifluoromethoxy)benzamide
CID 119001912
[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide
CID 167717521
N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
CID 22617151
2,6-dichloro-4-[4-(trifluoromethoxy)phenoxy]aniline
CID 90344335
2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol
CID 170893686
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
CID 164791139
CID 164791139
1-chloro-3-iodo-5-(trifluoromethoxy)benzene
CID 148567184

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate?
The IUPAC name of 2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate (CID 87286976) is 2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate.
What is the SMILES notation for 2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate?
The canonical SMILES for 2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1c(Cl)cc(OC(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate?
The InChIKey is LYZBTRQPUGLOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F3N2O.BF4/c8-4-1-3(15-7(10,11)12)2-5(9)6(4)14-13;2-1(3,4)5/h1-2H;/q+1;-1.
What are the key properties of 2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate?
2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate has a molecular weight of 344.81 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(trifluoromethoxy)benzenediazonium tetrafluoroborate is sourced from PubChem (CID 87286976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).