2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol

C7H12F2O3S — CID 105467497

IUPAC2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol
SMILESO=S1(=O)CCC(CCO)C(F)(F)C1
InChIInChI=1S/C7H12F2O3S/c8-7(9)5-13(11,12)4-2-6(7)1-3-10/h6,10H,1-5H2
InChIKeyQEABTOQLJAFAEN-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.44
Rot. Bonds2

About 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol

2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol (PubChem CID 105467497) has the molecular formula C7H12F2O3S and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol
PubChem CID105467497
Molecular FormulaC7H12F2O3S
Molecular Weight214.23 g/mol
Exact Mass214.05
IUPAC Name2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol
SMILESO=S1(=O)CCC(CCO)C(F)(F)C1
InChIInChI=1S/C7H12F2O3S/c8-7(9)5-13(11,12)4-2-6(7)1-3-10/h6,10H,1-5H2
InChIKeyQEABTOQLJAFAEN-UHFFFAOYSA-N
XLogP0.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxymethyl)-1lambda6-thiane-1,1-dione
CID 25179255
3-(Hydroxymethyl)-1lambda6-thiane-1,1-dione
CID 51000341
4-(2-Hydroxyethyl)-1lambda6-thiane-1,1-dione
CID 69067958
(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methyl trifluoromethanesulphonate
CID 117622928
(1-Oxothian-4-yl)methyl trifluoromethanesulfonate
CID 138496573
(3-Fluoro-1,1-dioxothian-3-yl)methanol
CID 84022518
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanol
CID 84666918
1-(1,1-Dioxothian-4-yl)-2,2,2-trifluoroethanol
CID 84695375
[4-(Fluoromethyl)-1,1-dioxothian-4-yl]methanol
CID 84773973
4-(Difluoromethyl)-4-(hydroxymethyl)-1lambda6-thiane-1,1-dione
CID 84783399
[4-(1,1-Difluoroethyl)-1,1-dioxothian-4-yl]methanol
CID 84792195
(3-Fluoro-1,1-dioxothian-4-yl)methanol
CID 105439987

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol?
The IUPAC name of 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol (CID 105467497) is 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol?
The canonical SMILES for 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol is O=S1(=O)CCC(CCO)C(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol?
The InChIKey is QEABTOQLJAFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O3S/c8-7(9)5-13(11,12)4-2-6(7)1-3-10/h6,10H,1-5H2.
What are the key properties of 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol?
2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol has a molecular weight of 214.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanol is sourced from PubChem (CID 105467497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).