ethyl (3-fluorocyclohexyl) sulfate

C8H15FO4S — CID 87155386

IUPACethyl (3-fluorocyclohexyl) sulfate
SMILESCCOS(=O)(=O)OC1CCCC(F)C1
InChIInChI=1S/C8H15FO4S/c1-2-12-14(10,11)13-8-5-3-4-7(9)6-8/h7-8H,2-6H2,1H3
InChIKeyDDLBDMXROPYVIG-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.57
Rot. Bonds4

About ethyl (3-fluorocyclohexyl) sulfate

ethyl (3-fluorocyclohexyl) sulfate (PubChem CID 87155386) has the molecular formula C8H15FO4S and a molecular weight of 226.27 g/mol. Its IUPAC name is ethyl (3-fluorocyclohexyl) sulfate.

Molecular Properties

Compound Nameethyl (3-fluorocyclohexyl) sulfate
PubChem CID87155386
Molecular FormulaC8H15FO4S
Molecular Weight226.27 g/mol
Exact Mass226.07
IUPAC Nameethyl (3-fluorocyclohexyl) sulfate
SMILESCCOS(=O)(=O)OC1CCCC(F)C1
InChIInChI=1S/C8H15FO4S/c1-2-12-14(10,11)13-8-5-3-4-7(9)6-8/h7-8H,2-6H2,1H3
InChIKeyDDLBDMXROPYVIG-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Fluorocyclohexyl) hydrogen sulfate
CID 13865951
Ethyl (2-fluorocyclohexyl) sulfate
CID 13865956
Bis(3-fluorocyclohexyl) sulfate
CID 87154726
(4-Fluorocyclohexyl) methyl sulfate
CID 87154757
(2-Fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate
CID 87154944
(3-Fluorocyclohexyl) methyl sulfate
CID 87155025
(4-Fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate
CID 87155026
Ethyl (2-fluorocyclohexyl) sulfite
CID 87155107
(2-Fluorocyclohexyl) methyl sulfite
CID 87155182
(3-Fluorocyclohexyl) methyl sulfite
CID 87155277
Ethyl (4-fluorocyclohexyl) sulfate
CID 87155286
Ethyl (4-fluorocyclohexyl) sulfite
CID 87155399

Frequently Asked Questions

What is the IUPAC name of ethyl (3-fluorocyclohexyl) sulfate?
The IUPAC name of ethyl (3-fluorocyclohexyl) sulfate (CID 87155386) is ethyl (3-fluorocyclohexyl) sulfate.
What is the SMILES notation for ethyl (3-fluorocyclohexyl) sulfate?
The canonical SMILES for ethyl (3-fluorocyclohexyl) sulfate is CCOS(=O)(=O)OC1CCCC(F)C1.
What is the InChIKey of ethyl (3-fluorocyclohexyl) sulfate?
The InChIKey is DDLBDMXROPYVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO4S/c1-2-12-14(10,11)13-8-5-3-4-7(9)6-8/h7-8H,2-6H2,1H3.
What are the key properties of ethyl (3-fluorocyclohexyl) sulfate?
ethyl (3-fluorocyclohexyl) sulfate has a molecular weight of 226.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3-fluorocyclohexyl) sulfate is sourced from PubChem (CID 87155386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).