1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene

C10H13FO3S — CID 15058784

IUPAC1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccc(COCCF)cc1
InChIInChI=1S/C10H13FO3S/c1-15(12,13)10-4-2-9(3-5-10)8-14-7-6-11/h2-5H,6-8H2,1H3
InChIKeyXBBZSOCSODDIPI-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.58
Rot. Bonds5

About 1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene

1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene (PubChem CID 15058784) has the molecular formula C10H13FO3S and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene.

Molecular Properties

Compound Name1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene
PubChem CID15058784
Molecular FormulaC10H13FO3S
Molecular Weight232.28 g/mol
Exact Mass232.06
IUPAC Name1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccc(COCCF)cc1
InChIInChI=1S/C10H13FO3S/c1-15(12,13)10-4-2-9(3-5-10)8-14-7-6-11/h2-5H,6-8H2,1H3
InChIKeyXBBZSOCSODDIPI-UHFFFAOYSA-N
XLogP1.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.58
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

Benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 891523
1-Methoxymethyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10405126
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
(4-Methanesulfonylphenyl)methanol
CID 3801026
2-(4-Methanesulfonylphenyl)oxirane
CID 16792009
3-(Methoxymethyl)benzene-1-sulfonyl chloride
CID 43363691
[4-(Chlorosulfonyl)phenyl]methyl acetate
CID 55279343
4-(Methoxymethyl)benzene-1-sulfonyl chloride
CID 55280306
4-(Methoxymethyl)benzene-1-sulfonamide
CID 57678654
3-(Ethoxymethyl)benzene-1-sulfonyl chloride
CID 62814685
2-(Benzyloxy)ethane-1-sulfonyl chloride
CID 64179623
3-(Benzyloxy)propane-1-sulfonyl chloride
CID 64182268

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene?
The IUPAC name of 1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene (CID 15058784) is 1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene.
What is the SMILES notation for 1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene?
The canonical SMILES for 1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene is CS(=O)(=O)c1ccc(COCCF)cc1.
What is the InChIKey of 1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene?
The InChIKey is XBBZSOCSODDIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3S/c1-15(12,13)10-4-2-9(3-5-10)8-14-7-6-11/h2-5H,6-8H2,1H3.
What are the key properties of 1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene?
1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene has a molecular weight of 232.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxymethyl)-4-methylsulfonylbenzene is sourced from PubChem (CID 15058784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).