2-amino-3-(difluoromethoxy)-6-methylphenol

C8H9F2NO2 — CID 89369173

IUPAC2-amino-3-(difluoromethoxy)-6-methylphenol
SMILESCc1ccc(OC(F)F)c(N)c1O
InChIInChI=1S/C8H9F2NO2/c1-4-2-3-5(13-8(9)10)6(11)7(4)12/h2-3,8,12H,11H2,1H3
InChIKeyLMDWGBYGEXLOSF-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.88
Rot. Bonds2

About 2-amino-3-(difluoromethoxy)-6-methylphenol

2-amino-3-(difluoromethoxy)-6-methylphenol (PubChem CID 89369173) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2-amino-3-(difluoromethoxy)-6-methylphenol.

Molecular Properties

Compound Name2-amino-3-(difluoromethoxy)-6-methylphenol
PubChem CID89369173
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2-amino-3-(difluoromethoxy)-6-methylphenol
SMILESCc1ccc(OC(F)F)c(N)c1O
InChIInChI=1S/C8H9F2NO2/c1-4-2-3-5(13-8(9)10)6(11)7(4)12/h2-3,8,12H,11H2,1H3
InChIKeyLMDWGBYGEXLOSF-UHFFFAOYSA-N
XLogP1.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.88
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-(difluoromethoxy)-6-methylphenol?
The IUPAC name of 2-amino-3-(difluoromethoxy)-6-methylphenol (CID 89369173) is 2-amino-3-(difluoromethoxy)-6-methylphenol.
What is the SMILES notation for 2-amino-3-(difluoromethoxy)-6-methylphenol?
The canonical SMILES for 2-amino-3-(difluoromethoxy)-6-methylphenol is Cc1ccc(OC(F)F)c(N)c1O.
What is the InChIKey of 2-amino-3-(difluoromethoxy)-6-methylphenol?
The InChIKey is LMDWGBYGEXLOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-4-2-3-5(13-8(9)10)6(11)7(4)12/h2-3,8,12H,11H2,1H3.
What are the key properties of 2-amino-3-(difluoromethoxy)-6-methylphenol?
2-amino-3-(difluoromethoxy)-6-methylphenol has a molecular weight of 189.16 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(difluoromethoxy)-6-methylphenol is sourced from PubChem (CID 89369173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).