bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane

C12H22F2O3S — CID 66796001

IUPACbis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
SMILESO=S(O)(O)(C1CCCC(F)C1)C1CCCC(F)C1
InChIInChI=1S/C12H22F2O3S/c13-9-3-1-5-11(7-9)18(15,16,17)12-6-2-4-10(14)8-12/h9-12H,1-8H2,(H2,15,16,17)
InChIKeyULWOJBKPMXOPEW-UHFFFAOYSA-N
MW284.37 g/mol
LogP3.31
Rot. Bonds2

About bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane

bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane (PubChem CID 66796001) has the molecular formula C12H22F2O3S and a molecular weight of 284.37 g/mol. Its IUPAC name is bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane.

Molecular Properties

Compound Namebis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
PubChem CID66796001
Molecular FormulaC12H22F2O3S
Molecular Weight284.37 g/mol
Exact Mass284.13
IUPAC Namebis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
SMILESO=S(O)(O)(C1CCCC(F)C1)C1CCCC(F)C1
InChIInChI=1S/C12H22F2O3S/c13-9-3-1-5-11(7-9)18(15,16,17)12-6-2-4-10(14)8-12/h9-12H,1-8H2,(H2,15,16,17)
InChIKeyULWOJBKPMXOPEW-UHFFFAOYSA-N
XLogP3.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The IUPAC name of bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane (CID 66796001) is bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane.
What is the SMILES notation for bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The canonical SMILES for bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane is O=S(O)(O)(C1CCCC(F)C1)C1CCCC(F)C1.
What is the InChIKey of bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The InChIKey is ULWOJBKPMXOPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O3S/c13-9-3-1-5-11(7-9)18(15,16,17)12-6-2-4-10(14)8-12/h9-12H,1-8H2,(H2,15,16,17).
What are the key properties of bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane has a molecular weight of 284.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane is sourced from PubChem (CID 66796001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).