oxo-[3-(trifluoromethyl)phenyl]methanediazonium

C8H4F3N2O+ — CID 54396044

IUPACoxo-[3-(trifluoromethyl)phenyl]methanediazonium
SMILESN#[N+]C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H4F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(14)13-12/h1-4H/q+1
InChIKeyAWRFJPYSUYZDLT-UHFFFAOYSA-N
MW201.13 g/mol
LogP2.70
Rot. Bonds1

About oxo-[3-(trifluoromethyl)phenyl]methanediazonium

oxo-[3-(trifluoromethyl)phenyl]methanediazonium (PubChem CID 54396044) has the molecular formula C8H4F3N2O+ and a molecular weight of 201.13 g/mol. Its IUPAC name is oxo-[3-(trifluoromethyl)phenyl]methanediazonium.

Molecular Properties

Compound Nameoxo-[3-(trifluoromethyl)phenyl]methanediazonium
PubChem CID54396044
Molecular FormulaC8H4F3N2O+
Molecular Weight201.13 g/mol
Exact Mass201.03
IUPAC Nameoxo-[3-(trifluoromethyl)phenyl]methanediazonium
SMILESN#[N+]C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H4F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(14)13-12/h1-4H/q+1
InChIKeyAWRFJPYSUYZDLT-UHFFFAOYSA-N
XLogP2.70
TPSA45.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 2331
CID 2331
CID 87439
CID 87439
CID 67759
CID 67759
CID 71572
CID 71572
CID 67964
CID 67964
CID 69253
CID 69253
CID 74445
CID 74445
CID 74684
CID 74684
CID 83082
CID 83082
CID 76974
CID 76974
CID 522832
CID 522832
CID 68000
CID 68000

Frequently Asked Questions

What is the IUPAC name of oxo-[3-(trifluoromethyl)phenyl]methanediazonium?
The IUPAC name of oxo-[3-(trifluoromethyl)phenyl]methanediazonium (CID 54396044) is oxo-[3-(trifluoromethyl)phenyl]methanediazonium.
What is the SMILES notation for oxo-[3-(trifluoromethyl)phenyl]methanediazonium?
The canonical SMILES for oxo-[3-(trifluoromethyl)phenyl]methanediazonium is N#[N+]C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of oxo-[3-(trifluoromethyl)phenyl]methanediazonium?
The InChIKey is AWRFJPYSUYZDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(14)13-12/h1-4H/q+1.
What are the key properties of oxo-[3-(trifluoromethyl)phenyl]methanediazonium?
oxo-[3-(trifluoromethyl)phenyl]methanediazonium has a molecular weight of 201.13 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[3-(trifluoromethyl)phenyl]methanediazonium is sourced from PubChem (CID 54396044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).