2,3,4,5-tetrafluorobenzoyl azide

C7HF4N3O — CID 56933865

IUPAC2,3,4,5-tetrafluorobenzoyl azide
SMILES[N-]=[N+]=NC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7HF4N3O/c8-3-1-2(7(15)13-14-12)4(9)6(11)5(3)10/h1H
InChIKeyBNHBZTDBZDDXFA-UHFFFAOYSA-N
MW219.10 g/mol
LogP2.69
Rot. Bonds1

About 2,3,4,5-tetrafluorobenzoyl azide

2,3,4,5-tetrafluorobenzoyl azide (PubChem CID 56933865) has the molecular formula C7HF4N3O and a molecular weight of 219.10 g/mol. Its IUPAC name is 2,3,4,5-tetrafluorobenzoyl azide.

Molecular Properties

Compound Name2,3,4,5-tetrafluorobenzoyl azide
PubChem CID56933865
Molecular FormulaC7HF4N3O
Molecular Weight219.10 g/mol
Exact Mass219.01
IUPAC Name2,3,4,5-tetrafluorobenzoyl azide
SMILES[N-]=[N+]=NC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7HF4N3O/c8-3-1-2(7(15)13-14-12)4(9)6(11)5(3)10/h1H
InChIKeyBNHBZTDBZDDXFA-UHFFFAOYSA-N
XLogP2.69
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 52.69
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-difluorobenzoyl azide
CID 62661740
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
sodium 2,3,4,5-tetrafluorobenzoate
CID 23675288
7-fluoro-1-benzofuran-3-carbonyl azide
CID 23599396
2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone
CID 130920299
2,6-dimethylpyridine-3,5-dicarbonyl azide
CID 13287143
3-fluorobenzoyl azide
CID 12613734
2-fluoro-6-methoxybenzoyl azide
CID 65433072
(2-carbonazidoylphenyl) 4-fluorobenzoate
CID 24938769
2-(2-fluoro-4-iodoanilino)benzoyl azide
CID 174831673
S-(5-carbonazidoyl-2-chloro-4-fluorophenyl) 2,3-dimethylbutanethioate
CID 139701223
trimethylstannyl 2,3,4,5-tetrafluorobenzoate
CID 71422031

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluorobenzoyl azide?
The IUPAC name of 2,3,4,5-tetrafluorobenzoyl azide (CID 56933865) is 2,3,4,5-tetrafluorobenzoyl azide.
What is the SMILES notation for 2,3,4,5-tetrafluorobenzoyl azide?
The canonical SMILES for 2,3,4,5-tetrafluorobenzoyl azide is [N-]=[N+]=NC(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluorobenzoyl azide?
The InChIKey is BNHBZTDBZDDXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF4N3O/c8-3-1-2(7(15)13-14-12)4(9)6(11)5(3)10/h1H.
What are the key properties of 2,3,4,5-tetrafluorobenzoyl azide?
2,3,4,5-tetrafluorobenzoyl azide has a molecular weight of 219.10 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluorobenzoyl azide is sourced from PubChem (CID 56933865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).