2-azido-3,4,5,6-tetrafluorobenzoic acid

C7HF4N3O2 — CID 19359250

IUPAC2-azido-3,4,5,6-tetrafluorobenzoic acid
SMILES[N-]=[N+]=Nc1c(F)c(F)c(F)c(F)c1C(=O)O
InChIInChI=1S/C7HF4N3O2/c8-2-1(7(15)16)6(13-14-12)5(11)4(10)3(2)9/h(H,15,16)
InChIKeyUJVXXSNYGDHJHC-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.88
Rot. Bonds2

About 2-azido-3,4,5,6-tetrafluorobenzoic acid

2-azido-3,4,5,6-tetrafluorobenzoic acid (PubChem CID 19359250) has the molecular formula C7HF4N3O2 and a molecular weight of 235.10 g/mol. Its IUPAC name is 2-azido-3,4,5,6-tetrafluorobenzoic acid.

Molecular Properties

Compound Name2-azido-3,4,5,6-tetrafluorobenzoic acid
PubChem CID19359250
Molecular FormulaC7HF4N3O2
Molecular Weight235.10 g/mol
Exact Mass235.00
IUPAC Name2-azido-3,4,5,6-tetrafluorobenzoic acid
SMILES[N-]=[N+]=Nc1c(F)c(F)c(F)c(F)c1C(=O)O
InChIInChI=1S/C7HF4N3O2/c8-2-1(7(15)16)6(13-14-12)5(11)4(10)3(2)9/h(H,15,16)
InChIKeyUJVXXSNYGDHJHC-UHFFFAOYSA-N
XLogP2.88
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-azido-3,4,5,6-tetrafluorobenzoic acid?
The IUPAC name of 2-azido-3,4,5,6-tetrafluorobenzoic acid (CID 19359250) is 2-azido-3,4,5,6-tetrafluorobenzoic acid.
What is the SMILES notation for 2-azido-3,4,5,6-tetrafluorobenzoic acid?
The canonical SMILES for 2-azido-3,4,5,6-tetrafluorobenzoic acid is [N-]=[N+]=Nc1c(F)c(F)c(F)c(F)c1C(=O)O.
What is the InChIKey of 2-azido-3,4,5,6-tetrafluorobenzoic acid?
The InChIKey is UJVXXSNYGDHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF4N3O2/c8-2-1(7(15)16)6(13-14-12)5(11)4(10)3(2)9/h(H,15,16).
What are the key properties of 2-azido-3,4,5,6-tetrafluorobenzoic acid?
2-azido-3,4,5,6-tetrafluorobenzoic acid has a molecular weight of 235.10 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3,4,5,6-tetrafluorobenzoic acid is sourced from PubChem (CID 19359250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).