4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol

C7H13FO3S — CID 115020612

IUPAC4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol
SMILESCC(F)CC1CS(=O)(=O)CC1O
InChIInChI=1S/C7H13FO3S/c1-5(8)2-6-3-12(10,11)4-7(6)9/h5-7,9H,2-4H2,1H3
InChIKeyAQXIUNQBFJUMSO-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.14
Rot. Bonds2

About 4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol

4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol (PubChem CID 115020612) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol
PubChem CID115020612
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol
SMILESCC(F)CC1CS(=O)(=O)CC1O
InChIInChI=1S/C7H13FO3S/c1-5(8)2-6-3-12(10,11)4-7(6)9/h5-7,9H,2-4H2,1H3
InChIKeyAQXIUNQBFJUMSO-UHFFFAOYSA-N
XLogP0.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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
(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol
CID 118370624
4-(3-Fluoropropyl)thiolan-3-ol
CID 83191342
1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol
CID 105104651
1-Fluoro-1-(thiolan-3-yl)propan-2-ol
CID 105432511
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanol
CID 105439990
2-(1,1-Dioxothiolan-3-yl)-2-fluoroethanol
CID 105439991
3-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-ol
CID 105449905
1-(1,1-Dioxothiolan-3-yl)-1-fluoropropan-2-ol
CID 105449909
1-(1,1-Dioxothiolan-2-yl)-1-fluoropropan-2-ol
CID 105449910
2-(4,4-Difluoro-1,1-dioxothiolan-3-yl)ethanol
CID 105452675
3-(1,1-Difluoro-2-hydroxyethyl)-1lambda6-thiolane-1,1-dione
CID 105452679

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol (CID 115020612) is 4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol is CC(F)CC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol?
The InChIKey is AQXIUNQBFJUMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-5(8)2-6-3-12(10,11)4-7(6)9/h5-7,9H,2-4H2,1H3.
What are the key properties of 4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol?
4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol has a molecular weight of 196.24 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropyl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 115020612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).