2-amino-3,4,6-trifluoro-5-phenoxyphenol

C12H8F3NO2 — CID 91430615

IUPAC2-amino-3,4,6-trifluoro-5-phenoxyphenol
SMILESNc1c(O)c(F)c(Oc2ccccc2)c(F)c1F
InChIInChI=1S/C12H8F3NO2/c13-7-8(14)12(9(15)11(17)10(7)16)18-6-4-2-1-3-5-6/h1-5,17H,16H2
InChIKeyONVREVLZXRHRIH-UHFFFAOYSA-N
MW255.19 g/mol
LogP3.18
Rot. Bonds2

About 2-amino-3,4,6-trifluoro-5-phenoxyphenol

2-amino-3,4,6-trifluoro-5-phenoxyphenol (PubChem CID 91430615) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-amino-3,4,6-trifluoro-5-phenoxyphenol.

Molecular Properties

Compound Name2-amino-3,4,6-trifluoro-5-phenoxyphenol
PubChem CID91430615
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name2-amino-3,4,6-trifluoro-5-phenoxyphenol
SMILESNc1c(O)c(F)c(Oc2ccccc2)c(F)c1F
InChIInChI=1S/C12H8F3NO2/c13-7-8(14)12(9(15)11(17)10(7)16)18-6-4-2-1-3-5-6/h1-5,17H,16H2
InChIKeyONVREVLZXRHRIH-UHFFFAOYSA-N
XLogP3.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.18
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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4,6-trifluoro-5-phenoxyphenol?
The IUPAC name of 2-amino-3,4,6-trifluoro-5-phenoxyphenol (CID 91430615) is 2-amino-3,4,6-trifluoro-5-phenoxyphenol.
What is the SMILES notation for 2-amino-3,4,6-trifluoro-5-phenoxyphenol?
The canonical SMILES for 2-amino-3,4,6-trifluoro-5-phenoxyphenol is Nc1c(O)c(F)c(Oc2ccccc2)c(F)c1F.
What is the InChIKey of 2-amino-3,4,6-trifluoro-5-phenoxyphenol?
The InChIKey is ONVREVLZXRHRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c13-7-8(14)12(9(15)11(17)10(7)16)18-6-4-2-1-3-5-6/h1-5,17H,16H2.
What are the key properties of 2-amino-3,4,6-trifluoro-5-phenoxyphenol?
2-amino-3,4,6-trifluoro-5-phenoxyphenol has a molecular weight of 255.19 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4,6-trifluoro-5-phenoxyphenol is sourced from PubChem (CID 91430615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).