ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine

C16H21FNO2PS — CID 11493867

IUPACethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine
SMILESCCOP(O)(=S)c1ccccc1.C[C@@H](N)c1ccc(F)cc1
InChIInChI=1S/C8H10FN.C8H11O2PS/c1-6(10)7-2-4-8(9)5-3-7;1-2-10-11(9,12)8-6-4-3-5-7-8/h2-6H,10H2,1H3;3-7H,2H2,1H3,(H,9,12)/t6-;/m1./s1
InChIKeyNYPQINIIRJFMBY-FYZOBXCZSA-N
MW341.39 g/mol
LogP3.50
Rot. Bonds4

About ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine

ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine (PubChem CID 11493867) has the molecular formula C16H21FNO2PS and a molecular weight of 341.39 g/mol. Its IUPAC name is ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Nameethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine
PubChem CID11493867
Molecular FormulaC16H21FNO2PS
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Nameethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine
SMILESCCOP(O)(=S)c1ccccc1.C[C@@H](N)c1ccc(F)cc1
InChIInChI=1S/C8H10FN.C8H11O2PS/c1-6(10)7-2-4-8(9)5-3-7;1-2-10-11(9,12)8-6-4-3-5-7-8/h2-6H,10H2,1H3;3-7H,2H2,1H3,(H,9,12)/t6-;/m1./s1
InChIKeyNYPQINIIRJFMBY-FYZOBXCZSA-N
XLogP3.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine (CID 11493867) is ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine is CCOP(O)(=S)c1ccccc1.C[C@@H](N)c1ccc(F)cc1.
What is the InChIKey of ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine?
The InChIKey is NYPQINIIRJFMBY-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H10FN.C8H11O2PS/c1-6(10)7-2-4-8(9)5-3-7;1-2-10-11(9,12)8-6-4-3-5-7-8/h2-6H,10H2,1H3;3-7H,2H2,1H3,(H,9,12)/t6-;/m1./s1.
What are the key properties of ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine?
ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine has a molecular weight of 341.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroxy-phenyl-sulfanylidene-λ5-phosphane;(1R)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 11493867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).