1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene

C11H15FO4S — CID 64716694

IUPAC1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene
SMILESCOCCOCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO4S/c1-15-6-7-16-8-9-17(13,14)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyATJWHATXVZFPBJ-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.26
Rot. Bonds7

About 1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene

1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene (PubChem CID 64716694) has the molecular formula C11H15FO4S and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene
PubChem CID64716694
Molecular FormulaC11H15FO4S
Molecular Weight262.30 g/mol
Exact Mass262.07
IUPAC Name1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene
SMILESCOCCOCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO4S/c1-15-6-7-16-8-9-17(13,14)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyATJWHATXVZFPBJ-UHFFFAOYSA-N
XLogP1.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene
CID 63665436
2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine
CID 94689042
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
4-[2-(3-methoxypropoxy)ethylsulfonyl]aniline
CID 103182208
4-[2-(2-methoxyethoxy)ethylsulfonyl]-2-methylaniline
CID 81182090
2-fluoro-5-[2-(3-methoxypropoxy)ethylsulfonyl]benzoic acid
CID 103179876
3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 71857042
[4-(2-methoxyethylsulfonyl)phenyl]boronic acid
CID 67229169
2-[2-[2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 3123163
ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene
CID 145380405
4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
CID 56800656
4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline
CID 39404405

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene?
The IUPAC name of 1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene (CID 64716694) is 1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene is COCCOCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene?
The InChIKey is ATJWHATXVZFPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4S/c1-15-6-7-16-8-9-17(13,14)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3.
What are the key properties of 1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene?
1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene has a molecular weight of 262.30 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene is sourced from PubChem (CID 64716694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).