2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol

C8H9ClFNOS — CID 19861724

IUPAC2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol
SMILESNc1ccc(F)c(Cl)c1SCCO
InChIInChI=1S/C8H9ClFNOS/c9-7-5(10)1-2-6(11)8(7)13-4-3-12/h1-2,12H,3-4,11H2
InChIKeyMNFJVQYYPIKJOH-UHFFFAOYSA-N
MW221.68 g/mol
LogP2.15
Rot. Bonds3

About 2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol

2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol (PubChem CID 19861724) has the molecular formula C8H9ClFNOS and a molecular weight of 221.68 g/mol. Its IUPAC name is 2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol
PubChem CID19861724
Molecular FormulaC8H9ClFNOS
Molecular Weight221.68 g/mol
Exact Mass221.01
IUPAC Name2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol
SMILESNc1ccc(F)c(Cl)c1SCCO
InChIInChI=1S/C8H9ClFNOS/c9-7-5(10)1-2-6(11)8(7)13-4-3-12/h1-2,12H,3-4,11H2
InChIKeyMNFJVQYYPIKJOH-UHFFFAOYSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 52.15
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-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol?
The IUPAC name of 2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol (CID 19861724) is 2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol?
The canonical SMILES for 2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol is Nc1ccc(F)c(Cl)c1SCCO.
What is the InChIKey of 2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol?
The InChIKey is MNFJVQYYPIKJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNOS/c9-7-5(10)1-2-6(11)8(7)13-4-3-12/h1-2,12H,3-4,11H2.
What are the key properties of 2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol?
2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol has a molecular weight of 221.68 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 19861724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).