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

C7H12F2O3S — CID 105467501

IUPAC3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol
SMILESO=S1(=O)CCCC1CC(F)(F)CO
InChIInChI=1S/C7H12F2O3S/c8-7(9,5-10)4-6-2-1-3-13(6,11)12/h6,10H,1-5H2
InChIKeyFHJQBUGNZWGCIN-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.58
Rot. Bonds3

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

3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol (PubChem CID 105467501) has the molecular formula C7H12F2O3S and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol
PubChem CID105467501
Molecular FormulaC7H12F2O3S
Molecular Weight214.23 g/mol
Exact Mass214.05
IUPAC Name3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol
SMILESO=S1(=O)CCCC1CC(F)(F)CO
InChIInChI=1S/C7H12F2O3S/c8-7(9,5-10)4-6-2-1-3-13(6,11)12/h6,10H,1-5H2
InChIKeyFHJQBUGNZWGCIN-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4,4,5,5,5-Pentafluoropentylsulfonyl)nonan-1-ol
CID 88159627
7-(4,4,5,5,5-Pentafluoropentylsulfonyl)heptan-1-ol
CID 88159655
10-(4,4,5,5,5-Pentafluoropentylsulfonyl)decan-1-ol
CID 88159767
7-(4,4,5,5,5-Pentafluoropentylsulfinyl)heptan-1-ol
CID 88160008
11-(4,4,5,5,5-Pentafluoropentylsulfonyl)undecan-1-ol
CID 88160958
7,7-Difluoro-7-methylsulfonylheptan-1-ol
CID 144052107
7-(3,3,3-Trifluoropropylsulfonyl)heptan-1-ol
CID 158241376
6-(3,3,3-Trifluoropropylsulfonyl)hexan-1-ol
CID 160253399
7-(3,3,3-Trifluoropropylsulfinyl)heptan-1-ol
CID 160503013
7-(4,4,4-Trifluorobutylsulfonyl)heptan-1-ol
CID 161360929
2-(1,1-Dioxothiolan-2-yl)-2-fluoroethanol
CID 105439992
2,2-Difluoro-3-(thiolan-2-yl)propan-1-ol
CID 105440135

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol (CID 105467501) is 3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol is O=S1(=O)CCCC1CC(F)(F)CO.
What is the InChIKey of 3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol?
The InChIKey is FHJQBUGNZWGCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O3S/c8-7(9,5-10)4-6-2-1-3-13(6,11)12/h6,10H,1-5H2.
What are the key properties of 3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol?
3-(1,1-dioxothiolan-2-yl)-2,2-difluoropropan-1-ol has a molecular weight of 214.23 g/mol, XLogP of 0.58, 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-2-yl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 105467501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).