4-(trifluoromethyl)benzoyl azide

C8H4F3N3O — CID 43307150

IUPAC4-(trifluoromethyl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)6-3-1-5(2-4-6)7(15)13-14-12/h1-4H
InChIKeyALOPQCKHCSGGGE-UHFFFAOYSA-N
MW215.13 g/mol
LogP3.16
Rot. Bonds1

About 4-(trifluoromethyl)benzoyl azide

4-(trifluoromethyl)benzoyl azide (PubChem CID 43307150) has the molecular formula C8H4F3N3O and a molecular weight of 215.13 g/mol. Its IUPAC name is 4-(trifluoromethyl)benzoyl azide.

Molecular Properties

Compound Name4-(trifluoromethyl)benzoyl azide
PubChem CID43307150
Molecular FormulaC8H4F3N3O
Molecular Weight215.13 g/mol
Exact Mass215.03
IUPAC Name4-(trifluoromethyl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)6-3-1-5(2-4-6)7(15)13-14-12/h1-4H
InChIKeyALOPQCKHCSGGGE-UHFFFAOYSA-N
XLogP3.16
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Benzamide
CID 2331
2,6-Difluorobenzamide
CID 87439
2-Trifluoromethylbenzamide
CID 67759
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
2-Fluorobenzamide
CID 67964
Terephthalamide
CID 76381
4-(Trifluoromethyl)benzamide
CID 74684
p-Cyanobenzamide
CID 76427
3,4-Difluorobenzamide
CID 522832
3-Fluorobenzamide
CID 68000
Benzoyl isocyanate
CID 78210

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)benzoyl azide?
The IUPAC name of 4-(trifluoromethyl)benzoyl azide (CID 43307150) is 4-(trifluoromethyl)benzoyl azide.
What is the SMILES notation for 4-(trifluoromethyl)benzoyl azide?
The canonical SMILES for 4-(trifluoromethyl)benzoyl azide is [N-]=[N+]=NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethyl)benzoyl azide?
The InChIKey is ALOPQCKHCSGGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O/c9-8(10,11)6-3-1-5(2-4-6)7(15)13-14-12/h1-4H.
What are the key properties of 4-(trifluoromethyl)benzoyl azide?
4-(trifluoromethyl)benzoyl azide has a molecular weight of 215.13 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)benzoyl azide is sourced from PubChem (CID 43307150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).