2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol

C11H10FNOS — CID 131342821

IUPAC2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol
SMILESN[C@H](c1cccs1)c1cccc(F)c1O
InChIInChI=1S/C11H10FNOS/c12-8-4-1-3-7(11(8)14)10(13)9-5-2-6-15-9/h1-6,10,14H,13H2/t10-/m0/s1
InChIKeyGTKZFGFUJDSEMP-JTQLQIEISA-N
MW223.27 g/mol
LogP2.64
Rot. Bonds2

About 2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol

2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol (PubChem CID 131342821) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol
PubChem CID131342821
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol
SMILESN[C@H](c1cccs1)c1cccc(F)c1O
InChIInChI=1S/C11H10FNOS/c12-8-4-1-3-7(11(8)14)10(13)9-5-2-6-15-9/h1-6,10,14H,13H2/t10-/m0/s1
InChIKeyGTKZFGFUJDSEMP-JTQLQIEISA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol?
The IUPAC name of 2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol (CID 131342821) is 2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol.
What is the SMILES notation for 2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol?
The canonical SMILES for 2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol is N[C@H](c1cccs1)c1cccc(F)c1O.
What is the InChIKey of 2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol?
The InChIKey is GTKZFGFUJDSEMP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10FNOS/c12-8-4-1-3-7(11(8)14)10(13)9-5-2-6-15-9/h1-6,10,14H,13H2/t10-/m0/s1.
What are the key properties of 2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol?
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol has a molecular weight of 223.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(thiophen-2-yl)methyl]-6-fluorophenol is sourced from PubChem (CID 131342821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).