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

C7H13FO3S — CID 105449906

IUPAC3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol
SMILESO=S1(=O)CCCC1CC(F)CO
InChIInChI=1S/C7H13FO3S/c8-6(5-9)4-7-2-1-3-12(7,10)11/h6-7,9H,1-5H2
InChIKeyPTVDZNFOGNVTBK-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.28
Rot. Bonds3

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

3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol (PubChem CID 105449906) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol
PubChem CID105449906
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol
SMILESO=S1(=O)CCCC1CC(F)CO
InChIInChI=1S/C7H13FO3S/c8-6(5-9)4-7-2-1-3-12(7,10)11/h6-7,9H,1-5H2
InChIKeyPTVDZNFOGNVTBK-UHFFFAOYSA-N
XLogP0.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-Dioxothiolan-2-yl)methanol
CID 84763218
7-(4,4,5,5,5-Pentafluoropentylsulfonyl)heptan-1-ol
CID 88159655
7-(3,3,3-Trifluoropropylsulfonyl)heptan-1-ol
CID 158241376
7-(4,4,4-Trifluorobutylsulfonyl)heptan-1-ol
CID 161360929
2-Fluoro-3-(thiolan-2-yl)propan-1-ol
CID 105432508
2-(1,1-Dioxothiolan-2-yl)-2-fluoroethanol
CID 105439992
3-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-ol
CID 105449905
1-(1,1-Dioxothiolan-2-yl)-1-fluoropropan-2-ol
CID 105449910
2-(1,1-Dioxothiolan-2-yl)-2,2-difluoroethanol
CID 105452680
4-(1,1-Dioxothiolan-2-yl)-3-fluorobutan-2-ol
CID 105464113
3-(1,1-Dioxothiolan-2-yl)-2,2-difluoropropan-1-ol
CID 105467501
1-(1,1-Dioxothiolan-2-yl)-1,1-difluoropropan-2-ol
CID 105467505

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol?
The IUPAC name of 3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol (CID 105449906) is 3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol.
What is the SMILES notation for 3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol?
The canonical SMILES for 3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol is O=S1(=O)CCCC1CC(F)CO.
What is the InChIKey of 3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol?
The InChIKey is PTVDZNFOGNVTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c8-6(5-9)4-7-2-1-3-12(7,10)11/h6-7,9H,1-5H2.
What are the key properties of 3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol?
3-(1,1-dioxothiolan-2-yl)-2-fluoropropan-1-ol has a molecular weight of 196.24 g/mol, XLogP of 0.28, 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-fluoropropan-1-ol is sourced from PubChem (CID 105449906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).