2-amino-4,6-difluorophenol

C6H5F2NO — CID 2737653

IUPAC2-amino-4,6-difluorophenol
SMILESNc1cc(F)cc(F)c1O
InChIInChI=1S/C6H5F2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2
InChIKeySTHCPCIXAKDNOP-UHFFFAOYSA-N
MW145.11 g/mol
LogP1.25
Rot. Bonds

About 2-amino-4,6-difluorophenol

2-amino-4,6-difluorophenol (PubChem CID 2737653) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is 2-amino-4,6-difluorophenol.

Molecular Properties

Compound Name2-amino-4,6-difluorophenol
PubChem CID2737653
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC Name2-amino-4,6-difluorophenol
SMILESNc1cc(F)cc(F)c1O
InChIInChI=1S/C6H5F2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2
InChIKeySTHCPCIXAKDNOP-UHFFFAOYSA-N
XLogP1.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4,6-difluorophenol 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 2-amino-4,6-difluorophenol?
The IUPAC name of 2-amino-4,6-difluorophenol (CID 2737653) is 2-amino-4,6-difluorophenol.
What is the SMILES notation for 2-amino-4,6-difluorophenol?
The canonical SMILES for 2-amino-4,6-difluorophenol is Nc1cc(F)cc(F)c1O.
What is the InChIKey of 2-amino-4,6-difluorophenol?
The InChIKey is STHCPCIXAKDNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2.
What are the key properties of 2-amino-4,6-difluorophenol?
2-amino-4,6-difluorophenol has a molecular weight of 145.11 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-difluorophenol is sourced from PubChem (CID 2737653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).