2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol

C11H10FNOS — CID 131359900

IUPAC2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol
SMILESN[C@H](c1cccs1)c1cc(F)ccc1O
InChIInChI=1S/C11H10FNOS/c12-7-3-4-9(14)8(6-7)11(13)10-2-1-5-15-10/h1-6,11,14H,13H2/t11-/m0/s1
InChIKeyGYZHSEHVHREKOJ-NSHDSACASA-N
MW223.27 g/mol
LogP2.64
Rot. Bonds2

About 2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol

2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol (PubChem CID 131359900) 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]-4-fluorophenol.

Molecular Properties

Compound Name2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol
PubChem CID131359900
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol
SMILESN[C@H](c1cccs1)c1cc(F)ccc1O
InChIInChI=1S/C11H10FNOS/c12-7-3-4-9(14)8(6-7)11(13)10-2-1-5-15-10/h1-6,11,14H,13H2/t11-/m0/s1
InChIKeyGYZHSEHVHREKOJ-NSHDSACASA-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]-4-fluorophenol?
The IUPAC name of 2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol (CID 131359900) is 2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol is N[C@H](c1cccs1)c1cc(F)ccc1O.
What is the InChIKey of 2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol?
The InChIKey is GYZHSEHVHREKOJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H10FNOS/c12-7-3-4-9(14)8(6-7)11(13)10-2-1-5-15-10/h1-6,11,14H,13H2/t11-/m0/s1.
What are the key properties of 2-[(S)-amino(thiophen-2-yl)methyl]-4-fluorophenol?
2-[(S)-amino(thiophen-2-yl)methyl]-4-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]-4-fluorophenol is sourced from PubChem (CID 131359900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).