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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Related Compounds

1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714
2-amino-5-[4-[1-[4-(4-amino-2,3,6-trifluoro-5-hydroxyphenoxy)phenyl]-1,2,2,3,3,3-hexafluoropropyl]phenoxy]-3,4,6-trifluorophenol
CID 22121626
2-amino-5-[6-(4-amino-2,3,6-trifluoro-5-hydroxyphenoxy)pyrimidin-4-yl]oxy-3,4,6-trifluorophenol
CID 22129213
2,3-diphenoxynaphthalene-1,4-diol
CID 19886586
4-(2,3,5,6-tetrafluoro-4-hydroxyphenoxy)benzoic acid
CID 165069523
2-amino-4-bromo-3-phenoxyphenol
CID 118093778
N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine
CID 21205042
2-amino-5-[4-(4-amino-3-carboxyphenoxy)-2,3,5,6-tetrafluorophenoxy]benzoic acid;benzene
CID 158765392
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene
CID 178069232
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625
4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol
CID 144813856
1-N,4-N-diphenyl-1-N,4-N-bis[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]benzene-1,4-diamine
CID 138724935

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).