6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane

C14H16FNO2 — CID 167453432

IUPAC6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane
SMILESCC.Nc1ccc(F)c(-c2ccccc2O)c1O
InChIInChI=1S/C12H10FNO2.C2H6/c13-8-5-6-9(14)12(16)11(8)7-3-1-2-4-10(7)15;1-2/h1-6,15-16H,14H2;1-2H3
InChIKeyKNUWUKPMYJSZKT-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.51
Rot. Bonds1

About 6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane

6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane (PubChem CID 167453432) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane.

Molecular Properties

Compound Name6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane
PubChem CID167453432
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane
SMILESCC.Nc1ccc(F)c(-c2ccccc2O)c1O
InChIInChI=1S/C12H10FNO2.C2H6/c13-8-5-6-9(14)12(16)11(8)7-3-1-2-4-10(7)15;1-2/h1-6,15-16H,14H2;1-2H3
InChIKeyKNUWUKPMYJSZKT-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.51
H-Bond Donors ≤ 53
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 6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane?
The IUPAC name of 6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane (CID 167453432) is 6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane.
What is the SMILES notation for 6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane?
The canonical SMILES for 6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane is CC.Nc1ccc(F)c(-c2ccccc2O)c1O.
What is the InChIKey of 6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane?
The InChIKey is KNUWUKPMYJSZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2.C2H6/c13-8-5-6-9(14)12(16)11(8)7-3-1-2-4-10(7)15;1-2/h1-6,15-16H,14H2;1-2H3.
What are the key properties of 6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane?
6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane has a molecular weight of 249.29 g/mol, XLogP of 3.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane is sourced from PubChem (CID 167453432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).