4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol

C9H14F2O3S — CID 171936934

IUPAC4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol
SMILESO=S1(=O)C2CCCC1CC(F)(F)C(O)C2
InChIInChI=1S/C9H14F2O3S/c10-9(11)5-7-3-1-2-6(4-8(9)12)15(7,13)14/h6-8,12H,1-5H2
InChIKeyADEFPDIGRQTCRR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.11
Rot. Bonds

About 4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol

4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol (PubChem CID 171936934) has the molecular formula C9H14F2O3S and a molecular weight of 240.27 g/mol. Its IUPAC name is 4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol.

Molecular Properties

Compound Name4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol
PubChem CID171936934
Molecular FormulaC9H14F2O3S
Molecular Weight240.27 g/mol
Exact Mass240.06
IUPAC Name4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol
SMILESO=S1(=O)C2CCCC1CC(F)(F)C(O)C2
InChIInChI=1S/C9H14F2O3S/c10-9(11)5-7-3-1-2-6(4-8(9)12)15(7,13)14/h6-8,12H,1-5H2
InChIKeyADEFPDIGRQTCRR-UHFFFAOYSA-N
XLogP1.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol?
The IUPAC name of 4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol (CID 171936934) is 4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol.
What is the SMILES notation for 4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol?
The canonical SMILES for 4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol is O=S1(=O)C2CCCC1CC(F)(F)C(O)C2.
What is the InChIKey of 4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol?
The InChIKey is ADEFPDIGRQTCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O3S/c10-9(11)5-7-3-1-2-6(4-8(9)12)15(7,13)14/h6-8,12H,1-5H2.
What are the key properties of 4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol?
4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol has a molecular weight of 240.27 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-10,10-dioxo-10λ6-thiabicyclo[4.3.1]decan-3-ol is sourced from PubChem (CID 171936934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).