5-amino-3-fluoro-2-methylphenol

C7H8FNO — CID 22129280

IUPAC5-amino-3-fluoro-2-methylphenol
SMILESCc1c(O)cc(N)cc1F
InChIInChI=1S/C7H8FNO/c1-4-6(8)2-5(9)3-7(4)10/h2-3,10H,9H2,1H3
InChIKeyGHKQDLRPLFOHCS-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.42
Rot. Bonds

About 5-amino-3-fluoro-2-methylphenol

5-amino-3-fluoro-2-methylphenol (PubChem CID 22129280) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-methylphenol.

Molecular Properties

Compound Name5-amino-3-fluoro-2-methylphenol
PubChem CID22129280
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name5-amino-3-fluoro-2-methylphenol
SMILESCc1c(O)cc(N)cc1F
InChIInChI=1S/C7H8FNO/c1-4-6(8)2-5(9)3-7(4)10/h2-3,10H,9H2,1H3
InChIKeyGHKQDLRPLFOHCS-UHFFFAOYSA-N
XLogP1.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-3-fluoro-2-methylphenol 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 5-amino-3-fluoro-2-methylphenol?
The IUPAC name of 5-amino-3-fluoro-2-methylphenol (CID 22129280) is 5-amino-3-fluoro-2-methylphenol.
What is the SMILES notation for 5-amino-3-fluoro-2-methylphenol?
The canonical SMILES for 5-amino-3-fluoro-2-methylphenol is Cc1c(O)cc(N)cc1F.
What is the InChIKey of 5-amino-3-fluoro-2-methylphenol?
The InChIKey is GHKQDLRPLFOHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-4-6(8)2-5(9)3-7(4)10/h2-3,10H,9H2,1H3.
What are the key properties of 5-amino-3-fluoro-2-methylphenol?
5-amino-3-fluoro-2-methylphenol has a molecular weight of 141.14 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-2-methylphenol is sourced from PubChem (CID 22129280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).