(1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol

C12H15FO4S — CID 78932256

IUPAC(1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C12H15FO4S/c1-8(14)11-3-2-9(13)6-12(11)17-10-4-5-18(15,16)7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10?/m0/s1
InChIKeyJLHZYDOZLHYDBK-PEHGTWAWSA-N
MW274.31 g/mol
LogP1.44
Rot. Bonds3

About (1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol

(1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol (PubChem CID 78932256) has the molecular formula C12H15FO4S and a molecular weight of 274.31 g/mol. Its IUPAC name is (1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol
PubChem CID78932256
Molecular FormulaC12H15FO4S
Molecular Weight274.31 g/mol
Exact Mass274.07
IUPAC Name(1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C12H15FO4S/c1-8(14)11-3-2-9(13)6-12(11)17-10-4-5-18(15,16)7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10?/m0/s1
InChIKeyJLHZYDOZLHYDBK-PEHGTWAWSA-N
XLogP1.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol (CID 78932256) is (1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol is C[C@H](O)c1ccc(F)cc1OC1CCS(=O)(=O)C1.
What is the InChIKey of (1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol?
The InChIKey is JLHZYDOZLHYDBK-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H15FO4S/c1-8(14)11-3-2-9(13)6-12(11)17-10-4-5-18(15,16)7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10?/m0/s1.
What are the key properties of (1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol?
(1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol has a molecular weight of 274.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol is sourced from PubChem (CID 78932256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).