1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene

C10H12ClFO3S — CID 63665436

IUPAC1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene
SMILESO=S(=O)(CCOCCCl)c1ccc(F)cc1
InChIInChI=1S/C10H12ClFO3S/c11-5-6-15-7-8-16(13,14)10-3-1-9(12)2-4-10/h1-4H,5-8H2
InChIKeyFEDQEBDIEYRGST-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.85
Rot. Bonds6

About 1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene

1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene (PubChem CID 63665436) has the molecular formula C10H12ClFO3S and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene
PubChem CID63665436
Molecular FormulaC10H12ClFO3S
Molecular Weight266.72 g/mol
Exact Mass266.02
IUPAC Name1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene
SMILESO=S(=O)(CCOCCCl)c1ccc(F)cc1
InChIInChI=1S/C10H12ClFO3S/c11-5-6-15-7-8-16(13,14)10-3-1-9(12)2-4-10/h1-4H,5-8H2
InChIKeyFEDQEBDIEYRGST-UHFFFAOYSA-N
XLogP1.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine
CID 94689042
1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene
CID 64716694
4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline
CID 39404405
4-(4-fluorophenyl)sulfonylbutan-1-amine
CID 28753396
3-(4-fluorophenyl)sulfonylpropanenitrile
CID 4739600
4-[2-[2-(4-hydroxyphenyl)sulfonylethoxymethoxy]ethylsulfonyl]phenol
CID 174715244
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
4-[3-(4-fluorophenyl)sulfonylpropoxy]aniline
CID 43444223
1-chloro-4-[2-[2-(4-chlorophenyl)sulfonylethylperoxy]ethylsulfonyl]benzene
CID 71390594
1-(2-tert-butylsulfonylethylsulfonyl)-4-fluorobenzene
CID 103705360
5-(4-fluorophenyl)sulfonylpentane-1-sulfonic acid
CID 123168445
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene?
The IUPAC name of 1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene (CID 63665436) is 1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene is O=S(=O)(CCOCCCl)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene?
The InChIKey is FEDQEBDIEYRGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3S/c11-5-6-15-7-8-16(13,14)10-3-1-9(12)2-4-10/h1-4H,5-8H2.
What are the key properties of 1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene?
1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene has a molecular weight of 266.72 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene is sourced from PubChem (CID 63665436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).