2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol

C9H12FNOS — CID 118046369

IUPAC2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol
SMILESCSc1cc(F)cc(C(N)CO)c1
InChIInChI=1S/C9H12FNOS/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3
InChIKeyQXCDYIATOCSNQA-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.54
Rot. Bonds3

About 2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol

2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol (PubChem CID 118046369) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol
PubChem CID118046369
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol
SMILESCSc1cc(F)cc(C(N)CO)c1
InChIInChI=1S/C9H12FNOS/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3
InChIKeyQXCDYIATOCSNQA-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol (CID 118046369) is 2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol is CSc1cc(F)cc(C(N)CO)c1.
What is the InChIKey of 2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol?
The InChIKey is QXCDYIATOCSNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3.
What are the key properties of 2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol?
2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol has a molecular weight of 201.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 118046369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).