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

C7H13FO3S — CID 105449905

IUPAC3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol
SMILESO=S1(=O)CCC(CC(F)CO)C1
InChIInChI=1S/C7H13FO3S/c8-7(4-9)3-6-1-2-12(10,11)5-6/h6-7,9H,1-5H2
InChIKeyCEAKDJIPGAFTRN-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.14
Rot. Bonds3

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

3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol (PubChem CID 105449905) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol
PubChem CID105449905
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol
SMILESO=S1(=O)CCC(CC(F)CO)C1
InChIInChI=1S/C7H13FO3S/c8-7(4-9)3-6-1-2-12(10,11)5-6/h6-7,9H,1-5H2
InChIKeyCEAKDJIPGAFTRN-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
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)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol
CID 89078257
[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol
CID 89109116
(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol
CID 118119109
(1,1-Dioxothiepan-3-yl)methanol
CID 130130817
2-Fluoro-3-(thiolan-3-yl)propan-1-ol
CID 105432507
(4-Fluoro-1,1-dioxothiolan-3-yl)methanol
CID 105433703
(4-Fluoro-1,1-dioxothian-3-yl)methanol
CID 105439989
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-(3-Fluoro-1,1-dioxothian-4-yl)ethanol
CID 105449904

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol (CID 105449905) is 3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol is O=S1(=O)CCC(CC(F)CO)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol?
The InChIKey is CEAKDJIPGAFTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c8-7(4-9)3-6-1-2-12(10,11)5-6/h6-7,9H,1-5H2.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol?
3-(1,1-dioxothiolan-3-yl)-2-fluoropropan-1-ol has a molecular weight of 196.24 g/mol, XLogP of 0.14, 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-fluoropropan-1-ol is sourced from PubChem (CID 105449905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).