1-fluoroethyl methyl sulfate

C3H7FO4S — CID 87154966

IUPAC1-fluoroethyl methyl sulfate
SMILESCOS(=O)(=O)OC(C)F
InChIInChI=1S/C3H7FO4S/c1-3(4)8-9(5,6)7-2/h3H,1-2H3
InChIKeyWVKOURFATQRNPO-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.21
Rot. Bonds3

About 1-fluoroethyl methyl sulfate

1-fluoroethyl methyl sulfate (PubChem CID 87154966) has the molecular formula C3H7FO4S and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-fluoroethyl methyl sulfate.

Molecular Properties

Compound Name1-fluoroethyl methyl sulfate
PubChem CID87154966
Molecular FormulaC3H7FO4S
Molecular Weight158.15 g/mol
Exact Mass158.00
IUPAC Name1-fluoroethyl methyl sulfate
SMILESCOS(=O)(=O)OC(C)F
InChIInChI=1S/C3H7FO4S/c1-3(4)8-9(5,6)7-2/h3H,1-2H3
InChIKeyWVKOURFATQRNPO-UHFFFAOYSA-N
XLogP0.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl methyl sulfate?
The IUPAC name of 1-fluoroethyl methyl sulfate (CID 87154966) is 1-fluoroethyl methyl sulfate.
What is the SMILES notation for 1-fluoroethyl methyl sulfate?
The canonical SMILES for 1-fluoroethyl methyl sulfate is COS(=O)(=O)OC(C)F.
What is the InChIKey of 1-fluoroethyl methyl sulfate?
The InChIKey is WVKOURFATQRNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO4S/c1-3(4)8-9(5,6)7-2/h3H,1-2H3.
What are the key properties of 1-fluoroethyl methyl sulfate?
1-fluoroethyl methyl sulfate has a molecular weight of 158.15 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl methyl sulfate is sourced from PubChem (CID 87154966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).