4-amino-3-fluorobenzene-1,2-disulfonic acid

C6H6FNO6S2 — CID 57273977

IUPAC4-amino-3-fluorobenzene-1,2-disulfonic acid
SMILESNc1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1F
InChIInChI=1S/C6H6FNO6S2/c7-5-3(8)1-2-4(15(9,10)11)6(5)16(12,13)14/h1-2H,8H2,(H,9,10,11)(H,12,13,14)
InChIKeyLWIQCDBEUPJJFI-UHFFFAOYSA-N
MW271.25 g/mol
LogP-0.10
Rot. Bonds2

About 4-amino-3-fluorobenzene-1,2-disulfonic acid

4-amino-3-fluorobenzene-1,2-disulfonic acid (PubChem CID 57273977) has the molecular formula C6H6FNO6S2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-amino-3-fluorobenzene-1,2-disulfonic acid.

Molecular Properties

Compound Name4-amino-3-fluorobenzene-1,2-disulfonic acid
PubChem CID57273977
Molecular FormulaC6H6FNO6S2
Molecular Weight271.25 g/mol
Exact Mass270.96
IUPAC Name4-amino-3-fluorobenzene-1,2-disulfonic acid
SMILESNc1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1F
InChIInChI=1S/C6H6FNO6S2/c7-5-3(8)1-2-4(15(9,10)11)6(5)16(12,13)14/h1-2H,8H2,(H,9,10,11)(H,12,13,14)
InChIKeyLWIQCDBEUPJJFI-UHFFFAOYSA-N
XLogP-0.10
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-methylbenzene-1,2-disulfonic acid
CID 57282558
4-aminonaphthalene-1-sulfonic acid
CID 6790
5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid
CID 86234936
2-aminonaphthalene-1,8-disulfonic acid
CID 101310221
7-amino-2,3-dihydro-1H-indene-4-sulfonic acid
CID 12683823
4-amino-2,3-dinitrobenzenesulfonic acid
CID 54502813
2-aminobenzene-1,4-disulfonic acid;4-aminobenzene-1,3-disulfonic acid
CID 88725351
4-amino-2-ethyl-3-fluorobenzenesulfonamide
CID 174775663
2-amino-5-iodobenzenesulfonic acid
CID 11087848
sodium 4-aminonaphthalene-1,5-disulfonic acid
CID 126465863
2-amino-5-[4-amino-3-(trihydroxy-λ4-sulfanyl)phenyl]benzenesulfonic acid
CID 59059894
2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum
CID 158411832

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluorobenzene-1,2-disulfonic acid?
The IUPAC name of 4-amino-3-fluorobenzene-1,2-disulfonic acid (CID 57273977) is 4-amino-3-fluorobenzene-1,2-disulfonic acid.
What is the SMILES notation for 4-amino-3-fluorobenzene-1,2-disulfonic acid?
The canonical SMILES for 4-amino-3-fluorobenzene-1,2-disulfonic acid is Nc1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1F.
What is the InChIKey of 4-amino-3-fluorobenzene-1,2-disulfonic acid?
The InChIKey is LWIQCDBEUPJJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO6S2/c7-5-3(8)1-2-4(15(9,10)11)6(5)16(12,13)14/h1-2H,8H2,(H,9,10,11)(H,12,13,14).
What are the key properties of 4-amino-3-fluorobenzene-1,2-disulfonic acid?
4-amino-3-fluorobenzene-1,2-disulfonic acid has a molecular weight of 271.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluorobenzene-1,2-disulfonic acid is sourced from PubChem (CID 57273977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).