1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene

C12H17FO3S — CID 103184357

IUPAC1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene
SMILESCOCCCOCCS(=O)c1ccccc1F
InChIInChI=1S/C12H17FO3S/c1-15-7-4-8-16-9-10-17(14)12-6-3-2-5-11(12)13/h2-3,5-6H,4,7-10H2,1H3
InChIKeyXWAUQZRCQXACFC-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.99
Rot. Bonds8

About 1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene

1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene (PubChem CID 103184357) has the molecular formula C12H17FO3S and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene
PubChem CID103184357
Molecular FormulaC12H17FO3S
Molecular Weight260.33 g/mol
Exact Mass260.09
IUPAC Name1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene
SMILESCOCCCOCCS(=O)c1ccccc1F
InChIInChI=1S/C12H17FO3S/c1-15-7-4-8-16-9-10-17(14)12-6-3-2-5-11(12)13/h2-3,5-6H,4,7-10H2,1H3
InChIKeyXWAUQZRCQXACFC-UHFFFAOYSA-N
XLogP1.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545
1-fluoro-2-propylsulfinylbenzene
CID 64717305
methyl 3-(2-fluorophenyl)sulfinylpropanoate
CID 61303739
2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline
CID 61302417
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 63791051
4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline
CID 104568938
4-fluoro-3-(4-methoxybutylsulfinyl)benzoic acid
CID 113437078
3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine
CID 114268884
3-(4-methoxybutylsulfinyl)-2-methylaniline
CID 104651008
3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179950
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene?
The IUPAC name of 1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene (CID 103184357) is 1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene.
What is the SMILES notation for 1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene?
The canonical SMILES for 1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene is COCCCOCCS(=O)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene?
The InChIKey is XWAUQZRCQXACFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3S/c1-15-7-4-8-16-9-10-17(14)12-6-3-2-5-11(12)13/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene?
1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene has a molecular weight of 260.33 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene is sourced from PubChem (CID 103184357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).