bis(3-fluorocyclohexyl) sulfate

C12H20F2O4S — CID 87154726

IUPACbis(3-fluorocyclohexyl) sulfate
SMILESO=S(=O)(OC1CCCC(F)C1)OC1CCCC(F)C1
InChIInChI=1S/C12H20F2O4S/c13-9-3-1-5-11(7-9)17-19(15,16)18-12-6-2-4-10(14)8-12/h9-12H,1-8H2
InChIKeyOLJFUULTKJWZDT-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.83
Rot. Bonds4

About bis(3-fluorocyclohexyl) sulfate

bis(3-fluorocyclohexyl) sulfate (PubChem CID 87154726) has the molecular formula C12H20F2O4S and a molecular weight of 298.35 g/mol. Its IUPAC name is bis(3-fluorocyclohexyl) sulfate.

Molecular Properties

Compound Namebis(3-fluorocyclohexyl) sulfate
PubChem CID87154726
Molecular FormulaC12H20F2O4S
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Namebis(3-fluorocyclohexyl) sulfate
SMILESO=S(=O)(OC1CCCC(F)C1)OC1CCCC(F)C1
InChIInChI=1S/C12H20F2O4S/c13-9-3-1-5-11(7-9)17-19(15,16)18-12-6-2-4-10(14)8-12/h9-12H,1-8H2
InChIKeyOLJFUULTKJWZDT-UHFFFAOYSA-N
XLogP2.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(3-fluorocyclohexyl) sulfate?
The IUPAC name of bis(3-fluorocyclohexyl) sulfate (CID 87154726) is bis(3-fluorocyclohexyl) sulfate.
What is the SMILES notation for bis(3-fluorocyclohexyl) sulfate?
The canonical SMILES for bis(3-fluorocyclohexyl) sulfate is O=S(=O)(OC1CCCC(F)C1)OC1CCCC(F)C1.
What is the InChIKey of bis(3-fluorocyclohexyl) sulfate?
The InChIKey is OLJFUULTKJWZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O4S/c13-9-3-1-5-11(7-9)17-19(15,16)18-12-6-2-4-10(14)8-12/h9-12H,1-8H2.
What are the key properties of bis(3-fluorocyclohexyl) sulfate?
bis(3-fluorocyclohexyl) sulfate has a molecular weight of 298.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-fluorocyclohexyl) sulfate is sourced from PubChem (CID 87154726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).