4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline

C13H20FNO4S — CID 104568938

IUPAC4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline
SMILESCOCCOCCOCCS(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H20FNO4S/c1-17-4-5-18-6-7-19-8-9-20(16)13-10-11(14)2-3-12(13)15/h2-3,10H,4-9,15H2,1H3
InChIKeyBPEVWYFCKCZMCF-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.20
Rot. Bonds10

About 4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline

4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline (PubChem CID 104568938) has the molecular formula C13H20FNO4S and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline
PubChem CID104568938
Molecular FormulaC13H20FNO4S
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline
SMILESCOCCOCCOCCS(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H20FNO4S/c1-17-4-5-18-6-7-19-8-9-20(16)13-10-11(14)2-3-12(13)15/h2-3,10H,4-9,15H2,1H3
InChIKeyBPEVWYFCKCZMCF-UHFFFAOYSA-N
XLogP1.20
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline
CID 104568936
4-chloro-2-(2-methoxyethylsulfinyl)aniline
CID 81180933
4-bromo-2-(2-methoxyethylsulfinyl)aniline
CID 81207153
4-fluoro-2-(4-methoxybutan-2-ylsulfinyl)aniline
CID 116500568
4-ethoxy-2-(2-methoxyethylsulfinyl)aniline
CID 81176021
4-fluoro-2-nonylsulfinylaniline
CID 81182991
3-bromo-4-[2-(2-methoxyethoxy)ethylsulfinyl]aniline
CID 82841925
3-(2-amino-5-fluorophenyl)sulfinyl-N-ethylpropanamide
CID 81184008
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560278
2-amino-5-fluorobenzenesulfinamide
CID 142349691
4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline
CID 106459972

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline?
The IUPAC name of 4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline (CID 104568938) is 4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline.
What is the SMILES notation for 4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline?
The canonical SMILES for 4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline is COCCOCCOCCS(=O)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline?
The InChIKey is BPEVWYFCKCZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4S/c1-17-4-5-18-6-7-19-8-9-20(16)13-10-11(14)2-3-12(13)15/h2-3,10H,4-9,15H2,1H3.
What are the key properties of 4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline?
4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline has a molecular weight of 305.37 g/mol, XLogP of 1.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline is sourced from PubChem (CID 104568938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).