4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol

C10H11FO4S — CID 60880285

IUPAC4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Oc2ccccc2F)C1
InChIInChI=1S/C10H11FO4S/c11-7-3-1-2-4-9(7)15-10-6-16(13,14)5-8(10)12/h1-4,8,10,12H,5-6H2
InChIKeyLCEIKCRYYPSRHJ-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.36
Rot. Bonds2

About 4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol

4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol (PubChem CID 60880285) has the molecular formula C10H11FO4S and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol
PubChem CID60880285
Molecular FormulaC10H11FO4S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Oc2ccccc2F)C1
InChIInChI=1S/C10H11FO4S/c11-7-3-1-2-4-9(7)15-10-6-16(13,14)5-8(10)12/h1-4,8,10,12H,5-6H2
InChIKeyLCEIKCRYYPSRHJ-UHFFFAOYSA-N
XLogP0.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 51072262
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3-Phenoxytetrahydrothiophene 1,1-dioxide
CID 3694015
4-(4-Methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-ol
CID 2740376
1-(Butylthio)-3-phenoxy-2-propanol
CID 2842946
3-Phenoxy-1-(ethylsulfanyl)propan-2-ol
CID 12534147
Phenoxysulfolane
CID 129782947
1-Benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol
CID 2725854
(2S,5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane
CID 11325162
4-[(5S)-5-[(4-fluorophenoxy)methyl]thiolan-2-yl]but-3-yn-1-ol
CID 11448861
(2S)(5RS)-5-benzenesulfonyl-2-(4-fluorophenoxymethyl)tetrahydrofuran
CID 15459716
(2R,5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane
CID 15459717

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol (CID 60880285) is 4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(Oc2ccccc2F)C1.
What is the InChIKey of 4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol?
The InChIKey is LCEIKCRYYPSRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4S/c11-7-3-1-2-4-9(7)15-10-6-16(13,14)5-8(10)12/h1-4,8,10,12H,5-6H2.
What are the key properties of 4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol?
4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol has a molecular weight of 246.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60880285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).