2-(4-fluorophenyl)sulfonylethyl formate

C9H9FO4S — CID 91025405

IUPAC2-(4-fluorophenyl)sulfonylethyl formate
SMILESO=COCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO4S/c10-8-1-3-9(4-2-8)15(12,13)6-5-14-7-11/h1-4,7H,5-6H2
InChIKeyLUJHJSGFJMYADE-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.77
Rot. Bonds5

About 2-(4-fluorophenyl)sulfonylethyl formate

2-(4-fluorophenyl)sulfonylethyl formate (PubChem CID 91025405) has the molecular formula C9H9FO4S and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonylethyl formate.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonylethyl formate
PubChem CID91025405
Molecular FormulaC9H9FO4S
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name2-(4-fluorophenyl)sulfonylethyl formate
SMILESO=COCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO4S/c10-8-1-3-9(4-2-8)15(12,13)6-5-14-7-11/h1-4,7H,5-6H2
InChIKeyLUJHJSGFJMYADE-UHFFFAOYSA-N
XLogP0.77
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Fluoresone
CID 71814
Ethyl (phenylsulphonyl)acetate
CID 82078
Methyl 2-(phenylsulfinyl)acetate
CID 84191
(Phenylsulfonyl)acetic acid
CID 59543
Methyl phenylsulfonyl acetate
CID 555619
(4-Fluoro-benzenesulfonyl)-acetic acid
CID 128125
Methyl 3-(phenylsulfonyl)propionate
CID 4193353
Sulfone, 2-acetoxypropyl phenyl
CID 538760
2-(Benzenesulfonyl)ethyl prop-2-enoate
CID 44377390
3-Fluoro-3-(((3-fluorophenyl)sulfinyl)methyl)oxetane
CID 129038015
2-(Benzenesulfonyl)ethyl acetate
CID 44377376
2-Ethoxyethylsulfonylbenzene
CID 44377531

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonylethyl formate?
The IUPAC name of 2-(4-fluorophenyl)sulfonylethyl formate (CID 91025405) is 2-(4-fluorophenyl)sulfonylethyl formate.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonylethyl formate?
The canonical SMILES for 2-(4-fluorophenyl)sulfonylethyl formate is O=COCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonylethyl formate?
The InChIKey is LUJHJSGFJMYADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4S/c10-8-1-3-9(4-2-8)15(12,13)6-5-14-7-11/h1-4,7H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)sulfonylethyl formate?
2-(4-fluorophenyl)sulfonylethyl formate has a molecular weight of 232.23 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonylethyl formate is sourced from PubChem (CID 91025405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).