bis(3-fluorocyclohexyl) sulfite

C12H20F2O3S — CID 87154384

IUPACbis(3-fluorocyclohexyl) sulfite
SMILESO=S(OC1CCCC(F)C1)OC1CCCC(F)C1
InChIInChI=1S/C12H20F2O3S/c13-9-3-1-5-11(7-9)16-18(15)17-12-6-2-4-10(14)8-12/h9-12H,1-8H2
InChIKeyJCOXDMCGZNGNDA-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.16
Rot. Bonds4

About bis(3-fluorocyclohexyl) sulfite

bis(3-fluorocyclohexyl) sulfite (PubChem CID 87154384) has the molecular formula C12H20F2O3S and a molecular weight of 282.35 g/mol. Its IUPAC name is bis(3-fluorocyclohexyl) sulfite.

Molecular Properties

Compound Namebis(3-fluorocyclohexyl) sulfite
PubChem CID87154384
Molecular FormulaC12H20F2O3S
Molecular Weight282.35 g/mol
Exact Mass282.11
IUPAC Namebis(3-fluorocyclohexyl) sulfite
SMILESO=S(OC1CCCC(F)C1)OC1CCCC(F)C1
InChIInChI=1S/C12H20F2O3S/c13-9-3-1-5-11(7-9)16-18(15)17-12-6-2-4-10(14)8-12/h9-12H,1-8H2
InChIKeyJCOXDMCGZNGNDA-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(3-fluorocyclohexyl) sulfite?
The IUPAC name of bis(3-fluorocyclohexyl) sulfite (CID 87154384) is bis(3-fluorocyclohexyl) sulfite.
What is the SMILES notation for bis(3-fluorocyclohexyl) sulfite?
The canonical SMILES for bis(3-fluorocyclohexyl) sulfite is O=S(OC1CCCC(F)C1)OC1CCCC(F)C1.
What is the InChIKey of bis(3-fluorocyclohexyl) sulfite?
The InChIKey is JCOXDMCGZNGNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O3S/c13-9-3-1-5-11(7-9)16-18(15)17-12-6-2-4-10(14)8-12/h9-12H,1-8H2.
What are the key properties of bis(3-fluorocyclohexyl) sulfite?
bis(3-fluorocyclohexyl) sulfite has a molecular weight of 282.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-fluorocyclohexyl) sulfite is sourced from PubChem (CID 87154384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).