2-amino-3-methyl-6-(trifluoromethoxy)phenol

C8H8F3NO2 — CID 89369183

IUPAC2-amino-3-methyl-6-(trifluoromethoxy)phenol
SMILESCc1ccc(OC(F)(F)F)c(O)c1N
InChIInChI=1S/C8H8F3NO2/c1-4-2-3-5(7(13)6(4)12)14-8(9,10)11/h2-3,13H,12H2,1H3
InChIKeyHOHTXWGVJXDNEE-UHFFFAOYSA-N
MW207.15 g/mol
LogP2.18
Rot. Bonds1

About 2-amino-3-methyl-6-(trifluoromethoxy)phenol

2-amino-3-methyl-6-(trifluoromethoxy)phenol (PubChem CID 89369183) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-amino-3-methyl-6-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-amino-3-methyl-6-(trifluoromethoxy)phenol
PubChem CID89369183
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name2-amino-3-methyl-6-(trifluoromethoxy)phenol
SMILESCc1ccc(OC(F)(F)F)c(O)c1N
InChIInChI=1S/C8H8F3NO2/c1-4-2-3-5(7(13)6(4)12)14-8(9,10)11/h2-3,13H,12H2,1H3
InChIKeyHOHTXWGVJXDNEE-UHFFFAOYSA-N
XLogP2.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-6-(trifluoromethoxy)phenol?
The IUPAC name of 2-amino-3-methyl-6-(trifluoromethoxy)phenol (CID 89369183) is 2-amino-3-methyl-6-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-amino-3-methyl-6-(trifluoromethoxy)phenol?
The canonical SMILES for 2-amino-3-methyl-6-(trifluoromethoxy)phenol is Cc1ccc(OC(F)(F)F)c(O)c1N.
What is the InChIKey of 2-amino-3-methyl-6-(trifluoromethoxy)phenol?
The InChIKey is HOHTXWGVJXDNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-4-2-3-5(7(13)6(4)12)14-8(9,10)11/h2-3,13H,12H2,1H3.
What are the key properties of 2-amino-3-methyl-6-(trifluoromethoxy)phenol?
2-amino-3-methyl-6-(trifluoromethoxy)phenol has a molecular weight of 207.15 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-6-(trifluoromethoxy)phenol is sourced from PubChem (CID 89369183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).