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

C8H15FO3S — CID 105464115

IUPAC1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol
SMILESCC(O)C(F)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15FO3S/c1-6(10)8(9)7-2-4-13(11,12)5-3-7/h6-8,10H,2-5H2,1H3
InChIKeyIRSAKPPTIOVGAD-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.53
Rot. Bonds2

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

1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol (PubChem CID 105464115) has the molecular formula C8H15FO3S and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol
PubChem CID105464115
Molecular FormulaC8H15FO3S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol
SMILESCC(O)C(F)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15FO3S/c1-6(10)8(9)7-2-4-13(11,12)5-3-7/h6-8,10H,2-5H2,1H3
InChIKeyIRSAKPPTIOVGAD-UHFFFAOYSA-N
XLogP0.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
6-Ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol
CID 103312526
1-Fluoro-1-(thian-4-yl)propan-2-ol
CID 105437759
(3-Fluoro-1,1-dioxothian-4-yl)methanol
CID 105439987
(4-Fluoro-1,1-dioxothian-3-yl)methanol
CID 105439989
2-(3-Fluoro-1,1-dioxothian-4-yl)ethanol
CID 105449904
2-(1,1-Dioxothian-3-yl)-2-fluoroethanol
CID 105449907
2-(1,1-Dioxothian-4-yl)-2-fluoroethanol
CID 105449908
1-(1,1-Dioxothiolan-3-yl)-1-fluoropropan-2-ol
CID 105449909
3-(1,1-Dioxothian-3-yl)-2-fluoropropan-1-ol
CID 105464110

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol (CID 105464115) is 1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol is CC(O)C(F)C1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol?
The InChIKey is IRSAKPPTIOVGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3S/c1-6(10)8(9)7-2-4-13(11,12)5-3-7/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol?
1-(1,1-dioxothian-4-yl)-1-fluoropropan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 0.53, 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-fluoropropan-2-ol is sourced from PubChem (CID 105464115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).