bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane

C12H22F2O3S — CID 66796066

IUPACbis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
SMILESO=S(O)(O)(C1CCCCC1F)C1CCCCC1F
InChIInChI=1S/C12H22F2O3S/c13-9-5-1-3-7-11(9)18(15,16,17)12-8-4-2-6-10(12)14/h9-12H,1-8H2,(H2,15,16,17)
InChIKeySGFWAHUYSNAARA-UHFFFAOYSA-N
MW284.37 g/mol
LogP3.31
Rot. Bonds2

About bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane

bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane (PubChem CID 66796066) has the molecular formula C12H22F2O3S and a molecular weight of 284.37 g/mol. Its IUPAC name is bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane.

Molecular Properties

Compound Namebis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
PubChem CID66796066
Molecular FormulaC12H22F2O3S
Molecular Weight284.37 g/mol
Exact Mass284.13
IUPAC Namebis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
SMILESO=S(O)(O)(C1CCCCC1F)C1CCCCC1F
InChIInChI=1S/C12H22F2O3S/c13-9-5-1-3-7-11(9)18(15,16,17)12-8-4-2-6-10(12)14/h9-12H,1-8H2,(H2,15,16,17)
InChIKeySGFWAHUYSNAARA-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

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Frequently Asked Questions

What is the IUPAC name of bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The IUPAC name of bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane (CID 66796066) is bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane.
What is the SMILES notation for bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The canonical SMILES for bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane is O=S(O)(O)(C1CCCCC1F)C1CCCCC1F.
What is the InChIKey of bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The InChIKey is SGFWAHUYSNAARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O3S/c13-9-5-1-3-7-11(9)18(15,16,17)12-8-4-2-6-10(12)14/h9-12H,1-8H2,(H2,15,16,17).
What are the key properties of bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
bis(2-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(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane is sourced from PubChem (CID 66796066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).