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

C8H15FO3S — CID 115026929

IUPAC3-(2-fluoropropyl)-1,1-dioxothian-4-ol
SMILESCC(F)CC1CS(=O)(=O)CCC1O
InChIInChI=1S/C8H15FO3S/c1-6(9)4-7-5-13(11,12)3-2-8(7)10/h6-8,10H,2-5H2,1H3
InChIKeyPLKMJOYUWOZYKE-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.53
Rot. Bonds2

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

3-(2-fluoropropyl)-1,1-dioxothian-4-ol (PubChem CID 115026929) has the molecular formula C8H15FO3S and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(2-fluoropropyl)-1,1-dioxothian-4-ol.

Molecular Properties

Compound Name3-(2-fluoropropyl)-1,1-dioxothian-4-ol
PubChem CID115026929
Molecular FormulaC8H15FO3S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name3-(2-fluoropropyl)-1,1-dioxothian-4-ol
SMILESCC(F)CC1CS(=O)(=O)CCC1O
InChIInChI=1S/C8H15FO3S/c1-6(9)4-7-5-13(11,12)3-2-8(7)10/h6-8,10H,2-5H2,1H3
InChIKeyPLKMJOYUWOZYKE-UHFFFAOYSA-N
XLogP0.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

4-(2-fluoropropyl)-1,1-dioxothian-3-ol
CID 115026931
3,4-diethylthiane 1,1-dioxide
CID 89014095
3-(1,1-dioxothiolan-3-yl)-2-methylpropanoic acid
CID 84779133
N-(6-methylhept-5-en-2-yl)-1,1-dioxothiolan-3-amine
CID 115707641
2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62738839
4-hydroxy-1,1-dioxothiane-3-carboxylic acid
CID 82401360
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol
CID 62609025
2-(3-hydroxy-1,1-dioxothian-4-yl)acetonitrile
CID 105443637
3-(2-fluoroethyl)-1,1-dioxothian-4-amine
CID 115020249
2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 57370502
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
1-(1,1-dioxothiolan-3-yl)-3-methylbut-3-en-2-ol
CID 105110471

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropyl)-1,1-dioxothian-4-ol?
The IUPAC name of 3-(2-fluoropropyl)-1,1-dioxothian-4-ol (CID 115026929) is 3-(2-fluoropropyl)-1,1-dioxothian-4-ol.
What is the SMILES notation for 3-(2-fluoropropyl)-1,1-dioxothian-4-ol?
The canonical SMILES for 3-(2-fluoropropyl)-1,1-dioxothian-4-ol is CC(F)CC1CS(=O)(=O)CCC1O.
What is the InChIKey of 3-(2-fluoropropyl)-1,1-dioxothian-4-ol?
The InChIKey is PLKMJOYUWOZYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3S/c1-6(9)4-7-5-13(11,12)3-2-8(7)10/h6-8,10H,2-5H2,1H3.
What are the key properties of 3-(2-fluoropropyl)-1,1-dioxothian-4-ol?
3-(2-fluoropropyl)-1,1-dioxothian-4-ol has a molecular weight of 210.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropyl)-1,1-dioxothian-4-ol is sourced from PubChem (CID 115026929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).