2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol

C6H11FO3S — CID 105439992

IUPAC2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol
SMILESO=S1(=O)CCCC1C(F)CO
InChIInChI=1S/C6H11FO3S/c7-5(4-8)6-2-1-3-11(6,9)10/h5-6,8H,1-4H2
InChIKeyUYMKPEAJRQAXIK-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.11
Rot. Bonds2

About 2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol

2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol (PubChem CID 105439992) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol
PubChem CID105439992
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol
SMILESO=S1(=O)CCCC1C(F)CO
InChIInChI=1S/C6H11FO3S/c7-5(4-8)6-2-1-3-11(6,9)10/h5-6,8H,1-4H2
InChIKeyUYMKPEAJRQAXIK-UHFFFAOYSA-N
XLogP-0.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-Dioxothiolan-2-yl)methanol
CID 84763218
Thiophene-2-ol, tetrahydro-, 1,1-dioxide
CID 18987500
6-(3,3,3-Trifluoropropylsulfonyl)hexan-1-ol
CID 160253399
2-Fluoro-2-(thiolan-2-yl)ethanol
CID 105429479
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanol
CID 105439990
2-(1,1-Dioxothiolan-3-yl)-2-fluoroethanol
CID 105439991
3-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-ol
CID 105449905
3-(1,1-Dioxothiolan-2-yl)-2-fluoropropan-1-ol
CID 105449906
1-(1,1-Dioxothiolan-2-yl)-1-fluoropropan-2-ol
CID 105449910
2-(1,1-Dioxothiolan-2-yl)-2,2-difluoroethanol
CID 105452680
4-(1,1-Dioxothiolan-2-yl)-3-fluorobutan-2-ol
CID 105464113
3-(1,1-Dioxothiolan-3-yl)-2,2-difluoropropan-1-ol
CID 105467500

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol?
The IUPAC name of 2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol (CID 105439992) is 2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol.
What is the SMILES notation for 2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol?
The canonical SMILES for 2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol is O=S1(=O)CCCC1C(F)CO.
What is the InChIKey of 2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol?
The InChIKey is UYMKPEAJRQAXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c7-5(4-8)6-2-1-3-11(6,9)10/h5-6,8H,1-4H2.
What are the key properties of 2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol?
2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol has a molecular weight of 182.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-2-yl)-2-fluoroethanol is sourced from PubChem (CID 105439992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).