ethyl 1-fluoroethyl sulfate

C4H9FO4S — CID 87155547

IUPACethyl 1-fluoroethyl sulfate
SMILESCCOS(=O)(=O)OC(C)F
InChIInChI=1S/C4H9FO4S/c1-3-8-10(6,7)9-4(2)5/h4H,3H2,1-2H3
InChIKeyGEPFYWLAGUKOQB-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.60
Rot. Bonds4

About ethyl 1-fluoroethyl sulfate

ethyl 1-fluoroethyl sulfate (PubChem CID 87155547) has the molecular formula C4H9FO4S and a molecular weight of 172.18 g/mol. Its IUPAC name is ethyl 1-fluoroethyl sulfate.

Molecular Properties

Compound Nameethyl 1-fluoroethyl sulfate
PubChem CID87155547
Molecular FormulaC4H9FO4S
Molecular Weight172.18 g/mol
Exact Mass172.02
IUPAC Nameethyl 1-fluoroethyl sulfate
SMILESCCOS(=O)(=O)OC(C)F
InChIInChI=1S/C4H9FO4S/c1-3-8-10(6,7)9-4(2)5/h4H,3H2,1-2H3
InChIKeyGEPFYWLAGUKOQB-UHFFFAOYSA-N
XLogP0.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluoroethyl sulfate?
The IUPAC name of ethyl 1-fluoroethyl sulfate (CID 87155547) is ethyl 1-fluoroethyl sulfate.
What is the SMILES notation for ethyl 1-fluoroethyl sulfate?
The canonical SMILES for ethyl 1-fluoroethyl sulfate is CCOS(=O)(=O)OC(C)F.
What is the InChIKey of ethyl 1-fluoroethyl sulfate?
The InChIKey is GEPFYWLAGUKOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO4S/c1-3-8-10(6,7)9-4(2)5/h4H,3H2,1-2H3.
What are the key properties of ethyl 1-fluoroethyl sulfate?
ethyl 1-fluoroethyl sulfate has a molecular weight of 172.18 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluoroethyl sulfate is sourced from PubChem (CID 87155547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).