3-amino-6-fluorobenzene-1,2,4,5-tetrol

C6H6FNO4 — CID 90919630

IUPAC3-amino-6-fluorobenzene-1,2,4,5-tetrol
SMILESNc1c(O)c(O)c(F)c(O)c1O
InChIInChI=1S/C6H6FNO4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9-12H,8H2
InChIKeyAGRAFUGVDLESFO-UHFFFAOYSA-N
MW175.11 g/mol
LogP0.23
Rot. Bonds

About 3-amino-6-fluorobenzene-1,2,4,5-tetrol

3-amino-6-fluorobenzene-1,2,4,5-tetrol (PubChem CID 90919630) has the molecular formula C6H6FNO4 and a molecular weight of 175.11 g/mol. Its IUPAC name is 3-amino-6-fluorobenzene-1,2,4,5-tetrol.

Molecular Properties

Compound Name3-amino-6-fluorobenzene-1,2,4,5-tetrol
PubChem CID90919630
Molecular FormulaC6H6FNO4
Molecular Weight175.11 g/mol
Exact Mass175.03
IUPAC Name3-amino-6-fluorobenzene-1,2,4,5-tetrol
SMILESNc1c(O)c(O)c(F)c(O)c1O
InChIInChI=1S/C6H6FNO4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9-12H,8H2
InChIKeyAGRAFUGVDLESFO-UHFFFAOYSA-N
XLogP0.23
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 50.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 3-amino-6-fluorobenzene-1,2,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-fluorobenzene-1,2,4,5-tetrol?
The IUPAC name of 3-amino-6-fluorobenzene-1,2,4,5-tetrol (CID 90919630) is 3-amino-6-fluorobenzene-1,2,4,5-tetrol.
What is the SMILES notation for 3-amino-6-fluorobenzene-1,2,4,5-tetrol?
The canonical SMILES for 3-amino-6-fluorobenzene-1,2,4,5-tetrol is Nc1c(O)c(O)c(F)c(O)c1O.
What is the InChIKey of 3-amino-6-fluorobenzene-1,2,4,5-tetrol?
The InChIKey is AGRAFUGVDLESFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9-12H,8H2.
What are the key properties of 3-amino-6-fluorobenzene-1,2,4,5-tetrol?
3-amino-6-fluorobenzene-1,2,4,5-tetrol has a molecular weight of 175.11 g/mol, XLogP of 0.23, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-fluorobenzene-1,2,4,5-tetrol is sourced from PubChem (CID 90919630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).