(7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol

C10H17FO3S — CID 115041494

IUPAC(7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1(F)CC2CS(=O)(=O)CC(C1)C2CO
InChIInChI=1S/C10H17FO3S/c1-10(11)2-7-5-15(13,14)6-8(3-10)9(7)4-12/h7-9,12H,2-6H2,1H3
InChIKeyUSJWMTBLHXYZCL-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.78
Rot. Bonds1

About (7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol

(7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol (PubChem CID 115041494) has the molecular formula C10H17FO3S and a molecular weight of 236.31 g/mol. Its IUPAC name is (7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol.

Molecular Properties

Compound Name(7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol
PubChem CID115041494
Molecular FormulaC10H17FO3S
Molecular Weight236.31 g/mol
Exact Mass236.09
IUPAC Name(7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1(F)CC2CS(=O)(=O)CC(C1)C2CO
InChIInChI=1S/C10H17FO3S/c1-10(11)2-7-5-15(13,14)6-8(3-10)9(7)4-12/h7-9,12H,2-6H2,1H3
InChIKeyUSJWMTBLHXYZCL-UHFFFAOYSA-N
XLogP0.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol with MolForge

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Related Compounds

(7-Fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115023694
(7,7-Difluoro-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115043653
(1,1-Dioxothian-2-yl)-(2-ethylcyclohexyl)methanol
CID 113661591
(1,1-Dioxothian-2-yl)-(4-ethylcyclohexyl)methanol
CID 113662350
(7-Methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115017187
(3,3-Dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115023659
(7-Methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115030941
(7,7-Dimethyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115039120
1-(3,4-Dimethylcyclohexyl)-2-methylsulfonylethanol
CID 115643070
(1,1-Dioxothian-2-yl)-(4-methylcyclohexyl)methanol
CID 115805272
(3,4-Dimethylcyclohexyl)-(1,1-dioxothian-2-yl)methanol
CID 115806093
1-(3,4-Dimethylcyclohexyl)-2-methylsulfonylpropan-1-ol
CID 115806221

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The IUPAC name of (7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol (CID 115041494) is (7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol.
What is the SMILES notation for (7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The canonical SMILES for (7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol is CC1(F)CC2CS(=O)(=O)CC(C1)C2CO.
What is the InChIKey of (7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The InChIKey is USJWMTBLHXYZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3S/c1-10(11)2-7-5-15(13,14)6-8(3-10)9(7)4-12/h7-9,12H,2-6H2,1H3.
What are the key properties of (7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
(7-fluoro-7-methyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol has a molecular weight of 236.31 g/mol, XLogP of 0.78, 1 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-yl)methanol is sourced from PubChem (CID 115041494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).