7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol

C9H15FO3S — CID 115033318

IUPAC7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol
SMILESCC1(F)CC2CS(=O)(=O)CC(C1)C2O
InChIInChI=1S/C9H15FO3S/c1-9(10)2-6-4-14(12,13)5-7(3-9)8(6)11/h6-8,11H,2-5H2,1H3
InChIKeyQAIASWXONMPHPG-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.53
Rot. Bonds

About 7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol

7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol (PubChem CID 115033318) has the molecular formula C9H15FO3S and a molecular weight of 222.28 g/mol. Its IUPAC name is 7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol
PubChem CID115033318
Molecular FormulaC9H15FO3S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Name7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol
SMILESCC1(F)CC2CS(=O)(=O)CC(C1)C2O
InChIInChI=1S/C9H15FO3S/c1-9(10)2-6-4-14(12,13)5-7(3-9)8(6)11/h6-8,11H,2-5H2,1H3
InChIKeyQAIASWXONMPHPG-UHFFFAOYSA-N
XLogP0.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-ol
CID 105464114
7-Fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol
CID 115018305
7,7-Difluoro-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-ol
CID 115035491
Thiolane 1,1-dioxide;2,4,6-trimethylcyclohexan-1-ol
CID 158944127
4-Ethyl-2-(2-methylsulfonylethyl)cyclohexan-1-ol
CID 61748609
4-Ethyl-2-(2-ethylsulfonylethyl)cyclohexan-1-ol
CID 61748611
2-(2-Methylsulfonylethyl)-4-propylcyclohexan-1-ol
CID 61749004
4-Methyl-2-(2-methylsulfonylethyl)cyclohexan-1-ol
CID 61749593
2-(2-Ethylsulfonylethyl)-4-methylcyclohexan-1-ol
CID 61749595
2-(2-Ethylsulfonylethyl)-4-propylcyclohexan-1-ol
CID 61751147
4-Methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 63196199
4-Ethyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 63196200

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol (CID 115033318) is 7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol is CC1(F)CC2CS(=O)(=O)CC(C1)C2O.
What is the InChIKey of 7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol?
The InChIKey is QAIASWXONMPHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3S/c1-9(10)2-6-4-14(12,13)5-7(3-9)8(6)11/h6-8,11H,2-5H2,1H3.
What are the key properties of 7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol?
7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol has a molecular weight of 222.28 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 115033318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).