4-amino-2-fluoro-3-methoxy-6-methylphenol

C8H10FNO2 — CID 84765908

IUPAC4-amino-2-fluoro-3-methoxy-6-methylphenol
SMILESCOc1c(N)cc(C)c(O)c1F
InChIInChI=1S/C8H10FNO2/c1-4-3-5(10)8(12-2)6(9)7(4)11/h3,11H,10H2,1-2H3
InChIKeyRIKARGPWDFXQDM-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.43
Rot. Bonds1

About 4-amino-2-fluoro-3-methoxy-6-methylphenol

4-amino-2-fluoro-3-methoxy-6-methylphenol (PubChem CID 84765908) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 4-amino-2-fluoro-3-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-amino-2-fluoro-3-methoxy-6-methylphenol
PubChem CID84765908
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name4-amino-2-fluoro-3-methoxy-6-methylphenol
SMILESCOc1c(N)cc(C)c(O)c1F
InChIInChI=1S/C8H10FNO2/c1-4-3-5(10)8(12-2)6(9)7(4)11/h3,11H,10H2,1-2H3
InChIKeyRIKARGPWDFXQDM-UHFFFAOYSA-N
XLogP1.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.43
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-3-methoxy-6-methylphenol?
The IUPAC name of 4-amino-2-fluoro-3-methoxy-6-methylphenol (CID 84765908) is 4-amino-2-fluoro-3-methoxy-6-methylphenol.
What is the SMILES notation for 4-amino-2-fluoro-3-methoxy-6-methylphenol?
The canonical SMILES for 4-amino-2-fluoro-3-methoxy-6-methylphenol is COc1c(N)cc(C)c(O)c1F.
What is the InChIKey of 4-amino-2-fluoro-3-methoxy-6-methylphenol?
The InChIKey is RIKARGPWDFXQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-4-3-5(10)8(12-2)6(9)7(4)11/h3,11H,10H2,1-2H3.
What are the key properties of 4-amino-2-fluoro-3-methoxy-6-methylphenol?
4-amino-2-fluoro-3-methoxy-6-methylphenol has a molecular weight of 171.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-3-methoxy-6-methylphenol is sourced from PubChem (CID 84765908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).