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

C11H10FNOS — CID 131342836

IUPAC4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol
SMILESN[C@@H](c1ccc(O)c(F)c1)c1cccs1
InChIInChI=1S/C11H10FNOS/c12-8-6-7(3-4-9(8)14)11(13)10-2-1-5-15-10/h1-6,11,14H,13H2/t11-/m0/s1
InChIKeyOKRLIWZFMIHNMY-NSHDSACASA-N
MW223.27 g/mol
LogP2.64
Rot. Bonds2

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

4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol (PubChem CID 131342836) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol
PubChem CID131342836
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol
SMILESN[C@@H](c1ccc(O)c(F)c1)c1cccs1
InChIInChI=1S/C11H10FNOS/c12-8-6-7(3-4-9(8)14)11(13)10-2-1-5-15-10/h1-6,11,14H,13H2/t11-/m0/s1
InChIKeyOKRLIWZFMIHNMY-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

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Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol?
The IUPAC name of 4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol (CID 131342836) is 4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol is N[C@@H](c1ccc(O)c(F)c1)c1cccs1.
What is the InChIKey of 4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol?
The InChIKey is OKRLIWZFMIHNMY-NSHDSACASA-N. The full InChI is InChI=1S/C11H10FNOS/c12-8-6-7(3-4-9(8)14)11(13)10-2-1-5-15-10/h1-6,11,14H,13H2/t11-/m0/s1.
What are the key properties of 4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol?
4-[(S)-amino(thiophen-2-yl)methyl]-2-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 4-[(S)-amino(thiophen-2-yl)methyl]-2-fluorophenol is sourced from PubChem (CID 131342836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).