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

C7H13FO3S — CID 105449910

IUPAC1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol
SMILESCC(O)C(F)C1CCCS1(=O)=O
InChIInChI=1S/C7H13FO3S/c1-5(9)7(8)6-3-2-4-12(6,10)11/h5-7,9H,2-4H2,1H3
InChIKeyRSLPIIBHNFRJBN-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.28
Rot. Bonds2

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

1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol (PubChem CID 105449910) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol
PubChem CID105449910
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol
SMILESCC(O)C(F)C1CCCS1(=O)=O
InChIInChI=1S/C7H13FO3S/c1-5(9)7(8)6-3-2-4-12(6,10)11/h5-7,9H,2-4H2,1H3
InChIKeyRSLPIIBHNFRJBN-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Fluoro-4-methylsulfonylcyclohexan-1-ol
CID 91067853
1-Fluoro-1-(thiolan-2-yl)propan-2-ol
CID 105432512
2-(1,1-Dioxothiolan-2-yl)-2-fluoroethanol
CID 105439992
3-(1,1-Dioxothiolan-2-yl)-2-fluoropropan-1-ol
CID 105449906
1-(1,1-Dioxothiolan-3-yl)-1-fluoropropan-2-ol
CID 105449909
2-(1,1-Dioxothiolan-2-yl)-2,2-difluoroethanol
CID 105452680
4-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-ol
CID 105464112
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
4-(1,1-Dioxothiolan-2-yl)-3,3-difluorobutan-2-ol
CID 105485479
4-(2-Fluoropropyl)-1,1-dioxothiolan-3-ol
CID 115020612

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol?
The IUPAC name of 1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol (CID 105449910) is 1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol.
What is the SMILES notation for 1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol?
The canonical SMILES for 1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol is CC(O)C(F)C1CCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol?
The InChIKey is RSLPIIBHNFRJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-5(9)7(8)6-3-2-4-12(6,10)11/h5-7,9H,2-4H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol?
1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol has a molecular weight of 196.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-2-yl)-1-fluoropropan-2-ol is sourced from PubChem (CID 105449910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).