2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride

C10H21FO5S — CID 165461040

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride
SMILESCCCCOCCOCCOCCS(=O)(=O)F
InChIInChI=1S/C10H21FO5S/c1-2-3-4-14-5-6-15-7-8-16-9-10-17(11,12)13/h2-10H2,1H3
InChIKeyWOZGGSNDNOJJEP-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.14
Rot. Bonds12

About 2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride

2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride (PubChem CID 165461040) has the molecular formula C10H21FO5S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride
PubChem CID165461040
Molecular FormulaC10H21FO5S
Molecular Weight272.34 g/mol
Exact Mass272.11
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride
SMILESCCCCOCCOCCOCCS(=O)(=O)F
InChIInChI=1S/C10H21FO5S/c1-2-3-4-14-5-6-15-7-8-16-9-10-17(11,12)13/h2-10H2,1H3
InChIKeyWOZGGSNDNOJJEP-UHFFFAOYSA-N
XLogP1.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane
CID 58676689
4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine
CID 104568967
2-(2-butoxyethoxy)ethyl ethanesulfonate
CID 139845349
bis[3-(2-butoxyethoxy)propyl] sulfate
CID 139845241
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
CID 175793636
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337
2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 150612301
sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonate
CID 175793635
2-(3-ethenoxypropoxy)ethanesulfonyl fluoride
CID 56625295
ethane;1-(2-propoxyethoxy)butane
CID 164535746
butanedioic acid;2-butoxyethanesulfonic acid
CID 88661040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride (CID 165461040) is 2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride is CCCCOCCOCCOCCS(=O)(=O)F.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride?
The InChIKey is WOZGGSNDNOJJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO5S/c1-2-3-4-14-5-6-15-7-8-16-9-10-17(11,12)13/h2-10H2,1H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride?
2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride has a molecular weight of 272.34 g/mol, XLogP of 1.14, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride is sourced from PubChem (CID 165461040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).