4,5-diamino-2,3-difluorophenol

C6H6F2N2O — CID 130057595

IUPAC4,5-diamino-2,3-difluorophenol
SMILESNc1cc(O)c(F)c(F)c1N
InChIInChI=1S/C6H6F2N2O/c7-4-3(11)1-2(9)6(10)5(4)8/h1,11H,9-10H2
InChIKeyAJSYIUAFTPAPTL-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.83
Rot. Bonds

About 4,5-diamino-2,3-difluorophenol

4,5-diamino-2,3-difluorophenol (PubChem CID 130057595) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 4,5-diamino-2,3-difluorophenol.

Molecular Properties

Compound Name4,5-diamino-2,3-difluorophenol
PubChem CID130057595
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4,5-diamino-2,3-difluorophenol
SMILESNc1cc(O)c(F)c(F)c1N
InChIInChI=1S/C6H6F2N2O/c7-4-3(11)1-2(9)6(10)5(4)8/h1,11H,9-10H2
InChIKeyAJSYIUAFTPAPTL-UHFFFAOYSA-N
XLogP0.83
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-diaminobenzene-1,4-diol;dihydrobromide
CID 70601230
3-amino-2,4,5,6-tetrafluorophenol
CID 12558020
2,4,5-trifluorobenzene-1,3-diol
CID 10725692
5-amino-4-fluoro-2-methylphenol
CID 10154098
5-amino-4-bromo-2-fluorophenol
CID 74892030
3-fluorobenzene-1,2,4-triamine
CID 89010456
2,3-diamino-5-(trifluoromethyl)phenol
CID 142974486
sodium;4-amino-2,3-difluorophenol;2,3-difluorobenzene-1,4-diol;nitrite;hydrochloride
CID 162129651
CID 175989016
CID 175989016
6-amino-2,3,4-trifluorophenol
CID 19957203
5-amino-2,3,4-trinitrophenol
CID 174982117
5-amino-4-fluoro-2-(trifluoromethyl)phenol
CID 130766695

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2,3-difluorophenol?
The IUPAC name of 4,5-diamino-2,3-difluorophenol (CID 130057595) is 4,5-diamino-2,3-difluorophenol.
What is the SMILES notation for 4,5-diamino-2,3-difluorophenol?
The canonical SMILES for 4,5-diamino-2,3-difluorophenol is Nc1cc(O)c(F)c(F)c1N.
What is the InChIKey of 4,5-diamino-2,3-difluorophenol?
The InChIKey is AJSYIUAFTPAPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-4-3(11)1-2(9)6(10)5(4)8/h1,11H,9-10H2.
What are the key properties of 4,5-diamino-2,3-difluorophenol?
4,5-diamino-2,3-difluorophenol has a molecular weight of 160.12 g/mol, XLogP of 0.83, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2,3-difluorophenol is sourced from PubChem (CID 130057595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).