2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol

C14H14FNOS — CID 60883938

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol
SMILESNc1cc(F)ccc1SCC(O)c1ccccc1
InChIInChI=1S/C14H14FNOS/c15-11-6-7-14(12(16)8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9,16H2
InChIKeyKHANUYFLTWHQJU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol

2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol (PubChem CID 60883938) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol
PubChem CID60883938
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol
SMILESNc1cc(F)ccc1SCC(O)c1ccccc1
InChIInChI=1S/C14H14FNOS/c15-11-6-7-14(12(16)8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9,16H2
InChIKeyKHANUYFLTWHQJU-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.23
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-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol (CID 60883938) is 2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol is Nc1cc(F)ccc1SCC(O)c1ccccc1.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol?
The InChIKey is KHANUYFLTWHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c15-11-6-7-14(12(16)8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9,16H2.
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol?
2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol has a molecular weight of 263.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol is sourced from PubChem (CID 60883938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).