1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol

C8H14F2O3S — CID 105485481

IUPAC1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol
SMILESCC(O)C(F)(F)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14F2O3S/c1-6(11)8(9,10)7-2-4-14(12,13)5-3-7/h6-7,11H,2-5H2,1H3
InChIKeyROWFDDAEADTMAA-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.83
Rot. Bonds2

About 1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol

1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol (PubChem CID 105485481) has the molecular formula C8H14F2O3S and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol
PubChem CID105485481
Molecular FormulaC8H14F2O3S
Molecular Weight228.26 g/mol
Exact Mass228.06
IUPAC Name1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol
SMILESCC(O)C(F)(F)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14F2O3S/c1-6(11)8(9,10)7-2-4-14(12,13)5-3-7/h6-7,11H,2-5H2,1H3
InChIKeyROWFDDAEADTMAA-UHFFFAOYSA-N
XLogP0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)ethyl]pentan-1-ol
CID 88964880
2-[2,2-Bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol
CID 88964968
(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol
CID 118370624
(3R,4R,5S)-1,5-dimethylthian-1-ium-3,4-diol;trifluoromethanesulfonate
CID 10935868
2,2,2-Trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
CID 80061029
1-(1,1-Dioxothian-4-yl)-2,2,2-trifluoroethanol
CID 84695375
1,1,1-Trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol
CID 103312450
6-Ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol
CID 103312526
(1S)-2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
CID 104373677
(1R)-2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
CID 104373908
1-(4,4-Difluorocyclohexyl)-4-methylsulfonylbutan-1-ol
CID 105082591
1-(4,4-Difluorocyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 105101775

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol (CID 105485481) is 1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol is CC(O)C(F)(F)C1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol?
The InChIKey is ROWFDDAEADTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O3S/c1-6(11)8(9,10)7-2-4-14(12,13)5-3-7/h6-7,11H,2-5H2,1H3.
What are the key properties of 1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol?
1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol has a molecular weight of 228.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 105485481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).