2-(3-amino-5-fluorophenyl)sulfanylethanol

C8H10FNOS — CID 60877670

IUPAC2-(3-amino-5-fluorophenyl)sulfanylethanol
SMILESNc1cc(F)cc(SCCO)c1
InChIInChI=1S/C8H10FNOS/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,11H,1-2,10H2
InChIKeyANTVCVWRFHGAFV-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.49
Rot. Bonds3

About 2-(3-amino-5-fluorophenyl)sulfanylethanol

2-(3-amino-5-fluorophenyl)sulfanylethanol (PubChem CID 60877670) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(3-amino-5-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(3-amino-5-fluorophenyl)sulfanylethanol
PubChem CID60877670
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name2-(3-amino-5-fluorophenyl)sulfanylethanol
SMILESNc1cc(F)cc(SCCO)c1
InChIInChI=1S/C8H10FNOS/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,11H,1-2,10H2
InChIKeyANTVCVWRFHGAFV-UHFFFAOYSA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluorophenyl)sulfanylethanol?
The IUPAC name of 2-(3-amino-5-fluorophenyl)sulfanylethanol (CID 60877670) is 2-(3-amino-5-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 2-(3-amino-5-fluorophenyl)sulfanylethanol?
The canonical SMILES for 2-(3-amino-5-fluorophenyl)sulfanylethanol is Nc1cc(F)cc(SCCO)c1.
What is the InChIKey of 2-(3-amino-5-fluorophenyl)sulfanylethanol?
The InChIKey is ANTVCVWRFHGAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,11H,1-2,10H2.
What are the key properties of 2-(3-amino-5-fluorophenyl)sulfanylethanol?
2-(3-amino-5-fluorophenyl)sulfanylethanol has a molecular weight of 187.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 60877670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).