4-(difluoromethoxy)benzenediazonium tetrafluoroborate

C7H5BF6N2O — CID 82973350

IUPAC4-(difluoromethoxy)benzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(OC(F)F)cc1
InChIInChI=1S/C7H5F2N2O.BF4/c8-7(9)12-6-3-1-5(11-10)2-4-6;2-1(3,4)5/h1-4,7H;/q+1;-1
InChIKeyOFXNHFCCZGMNQE-UHFFFAOYSA-N
MW257.93 g/mol
LogP4.07
Rot. Bonds2

About 4-(difluoromethoxy)benzenediazonium tetrafluoroborate

4-(difluoromethoxy)benzenediazonium tetrafluoroborate (PubChem CID 82973350) has the molecular formula C7H5BF6N2O and a molecular weight of 257.93 g/mol. Its IUPAC name is 4-(difluoromethoxy)benzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name4-(difluoromethoxy)benzenediazonium tetrafluoroborate
PubChem CID82973350
Molecular FormulaC7H5BF6N2O
Molecular Weight257.93 g/mol
Exact Mass258.04
IUPAC Name4-(difluoromethoxy)benzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(OC(F)F)cc1
InChIInChI=1S/C7H5F2N2O.BF4/c8-7(9)12-6-3-1-5(11-10)2-4-6;2-1(3,4)5/h1-4,7H;/q+1;-1
InChIKeyOFXNHFCCZGMNQE-UHFFFAOYSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.93
LogP ≤ 54.07
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

4-(difluoromethoxy)aniline
CID 737363
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
4-[4-(difluoromethoxy)phenoxy]aniline
CID 71414941
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
1-(difluoromethoxy)-4-(fluoromethoxy)benzene
CID 137408791
1-(difluoromethoxy)-4-methylsulfinylbenzene;hydrate
CID 156822834
4-(difluoromethoxy)benzaldehyde
CID 2736986
difluoromethoxybenzene;ethane
CID 142246454
cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888254
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
[4-(difluoromethoxy)phenoxy]-dihydroxy-sulfanylidene-λ5-phosphane
CID 57161593

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)benzenediazonium tetrafluoroborate?
The IUPAC name of 4-(difluoromethoxy)benzenediazonium tetrafluoroborate (CID 82973350) is 4-(difluoromethoxy)benzenediazonium tetrafluoroborate.
What is the SMILES notation for 4-(difluoromethoxy)benzenediazonium tetrafluoroborate?
The canonical SMILES for 4-(difluoromethoxy)benzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)benzenediazonium tetrafluoroborate?
The InChIKey is OFXNHFCCZGMNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N2O.BF4/c8-7(9)12-6-3-1-5(11-10)2-4-6;2-1(3,4)5/h1-4,7H;/q+1;-1.
What are the key properties of 4-(difluoromethoxy)benzenediazonium tetrafluoroborate?
4-(difluoromethoxy)benzenediazonium tetrafluoroborate has a molecular weight of 257.93 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)benzenediazonium tetrafluoroborate is sourced from PubChem (CID 82973350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).