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

C7HF4N3O2 — CID 2762578

IUPAC4-azido-2,3,5,6-tetrafluorobenzoic acid
SMILES[N-]=[N+]=Nc1c(F)c(F)c(C(=O)O)c(F)c1F
InChIInChI=1S/C7HF4N3O2/c8-2-1(7(15)16)3(9)5(11)6(4(2)10)13-14-12/h(H,15,16)
InChIKeyIOJFHZXQSLNAQJ-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.88
Rot. Bonds2

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

4-azido-2,3,5,6-tetrafluorobenzoic acid (PubChem CID 2762578) has the molecular formula C7HF4N3O2 and a molecular weight of 235.10 g/mol. Its IUPAC name is 4-azido-2,3,5,6-tetrafluorobenzoic acid.

Molecular Properties

Compound Name4-azido-2,3,5,6-tetrafluorobenzoic acid
PubChem CID2762578
Molecular FormulaC7HF4N3O2
Molecular Weight235.10 g/mol
Exact Mass235.00
IUPAC Name4-azido-2,3,5,6-tetrafluorobenzoic acid
SMILES[N-]=[N+]=Nc1c(F)c(F)c(C(=O)O)c(F)c1F
InChIInChI=1S/C7HF4N3O2/c8-2-1(7(15)16)3(9)5(11)6(4(2)10)13-14-12/h(H,15,16)
InChIKeyIOJFHZXQSLNAQJ-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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-Amino-2,3,5,6-tetrafluorobenzoic acid
CID 70345
4-Azidobenzoic acid
CID 3034184
4-Carboxybenzediazonium tetrafluoroborate
CID 12489775
4-Amino-3,5-difluorobenzoic acid
CID 282133
4-Amino-2,3,5-trifluorobenzoic acid
CID 14501378
4-Amino-2,5-difluorobenzoic acid
CID 20151477
Methyl 4-azido-2,3,5,6-tetrafluorobenzoate
CID 129750
Tetrafluoroazidobenzoic acid
CID 19359250
cis-2,3,5,6,2',3',5',6'-Octafluoro-4,4'-azinodibenzoic acid
CID 87436208
2,3,5,6-Tetrafluoro-4-nitrobenzoic acid
CID 85774620
4-Carboxybenzenediazonium;2,2,2-trifluoroacetate
CID 134935050
Sodium p-azidotetrafluorobenzoate
CID 129760594

Frequently Asked Questions

What is the IUPAC name of 4-azido-2,3,5,6-tetrafluorobenzoic acid?
The IUPAC name of 4-azido-2,3,5,6-tetrafluorobenzoic acid (CID 2762578) is 4-azido-2,3,5,6-tetrafluorobenzoic acid.
What is the SMILES notation for 4-azido-2,3,5,6-tetrafluorobenzoic acid?
The canonical SMILES for 4-azido-2,3,5,6-tetrafluorobenzoic acid is [N-]=[N+]=Nc1c(F)c(F)c(C(=O)O)c(F)c1F.
What is the InChIKey of 4-azido-2,3,5,6-tetrafluorobenzoic acid?
The InChIKey is IOJFHZXQSLNAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF4N3O2/c8-2-1(7(15)16)3(9)5(11)6(4(2)10)13-14-12/h(H,15,16).
What are the key properties of 4-azido-2,3,5,6-tetrafluorobenzoic acid?
4-azido-2,3,5,6-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 4-azido-2,3,5,6-tetrafluorobenzoic acid is sourced from PubChem (CID 2762578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).