3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol

C7H12F2O3S — CID 105467500

IUPAC3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol
SMILESO=S1(=O)CCC(CC(F)(F)CO)C1
InChIInChI=1S/C7H12F2O3S/c8-7(9,5-10)3-6-1-2-13(11,12)4-6/h6,10H,1-5H2
InChIKeyFSKOPJXSAWCFPT-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.44
Rot. Bonds3

About 3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol

3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol (PubChem CID 105467500) has the molecular formula C7H12F2O3S and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol
PubChem CID105467500
Molecular FormulaC7H12F2O3S
Molecular Weight214.23 g/mol
Exact Mass214.05
IUPAC Name3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol
SMILESO=S1(=O)CCC(CC(F)(F)CO)C1
InChIInChI=1S/C7H12F2O3S/c8-7(9,5-10)3-6-1-2-13(11,12)4-6/h6,10H,1-5H2
InChIKeyFSKOPJXSAWCFPT-UHFFFAOYSA-N
XLogP0.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

3-(2-Hydroxyethyl)-1lambda6-thiolane-1,1-dione
CID 20622991
[(2S,4R,5S)-5-methyl-4-(trifluoromethyl)thiolan-2-yl]methanol
CID 68034780
(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
CID 118119213
(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol
CID 118370624
2-[5-(Trifluoromethyl)thiolan-3-yl]ethanol
CID 169666439
2-(Triflylmethyl)cyclopentan-1-ol
CID 13581959
2-(1,1-Dioxothiolan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 66026738
1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol
CID 105104651
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanol
CID 105439990
2-(1,1-Dioxothiolan-3-yl)-2-fluoroethanol
CID 105439991
2-(1,1-Dioxothiolan-2-yl)-2-fluoroethanol
CID 105439992
2,2-Difluoro-3-(thiolan-3-yl)propan-1-ol
CID 105440134

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol (CID 105467500) is 3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol is O=S1(=O)CCC(CC(F)(F)CO)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol?
The InChIKey is FSKOPJXSAWCFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O3S/c8-7(9,5-10)3-6-1-2-13(11,12)4-6/h6,10H,1-5H2.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol?
3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol has a molecular weight of 214.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 105467500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).