4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol

C8H15FO3S — CID 105464112

IUPAC4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol
SMILESCC(O)C(F)CC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15FO3S/c1-6(10)8(9)4-7-2-3-13(11,12)5-7/h6-8,10H,2-5H2,1H3
InChIKeyDPEGTWJZTRYZRD-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.53
Rot. Bonds3

About 4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol

4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol (PubChem CID 105464112) has the molecular formula C8H15FO3S and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol.

Molecular Properties

Compound Name4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol
PubChem CID105464112
Molecular FormulaC8H15FO3S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol
SMILESCC(O)C(F)CC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15FO3S/c1-6(10)8(9)4-7-2-3-13(11,12)5-7/h6-8,10H,2-5H2,1H3
InChIKeyDPEGTWJZTRYZRD-UHFFFAOYSA-N
XLogP0.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

(2R,3S,5S)-4-(1-fluoroethyl)-2-(hydroxymethyl)-5-methylthiolan-3-ol
CID 164129879
1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol
CID 105104651
3-Fluoro-4-(thiolan-3-yl)butan-2-ol
CID 105437756
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
3-(1,1-Dioxothian-3-yl)-2-fluoropropan-1-ol
CID 105464110
4-(1,1-Dioxothiolan-2-yl)-3-fluorobutan-2-ol
CID 105464113
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-ol
CID 105464114
1-(1,1-Dioxothian-4-yl)-1-fluoropropan-2-ol
CID 105464115
3-(1,1-Dioxothiolan-3-yl)-2,2-difluoropropan-1-ol
CID 105467500
1-(1,1-Dioxothiolan-3-yl)-1,1-difluoropropan-2-ol
CID 105467504

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol?
The IUPAC name of 4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol (CID 105464112) is 4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol.
What is the SMILES notation for 4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol?
The canonical SMILES for 4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol is CC(O)C(F)CC1CCS(=O)(=O)C1.
What is the InChIKey of 4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol?
The InChIKey is DPEGTWJZTRYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3S/c1-6(10)8(9)4-7-2-3-13(11,12)5-7/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol?
4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiolan-3-yl)-3-fluorobutan-2-ol is sourced from PubChem (CID 105464112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).