ethyl 1-fluoroethyl sulfite

C4H9FO3S — CID 87155657

IUPACethyl 1-fluoroethyl sulfite
SMILESCCOS(=O)OC(C)F
InChIInChI=1S/C4H9FO3S/c1-3-7-9(6)8-4(2)5/h4H,3H2,1-2H3
InChIKeyHATPAWZYNHZZCS-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.93
Rot. Bonds4

About ethyl 1-fluoroethyl sulfite

ethyl 1-fluoroethyl sulfite (PubChem CID 87155657) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl 1-fluoroethyl sulfite.

Molecular Properties

Compound Nameethyl 1-fluoroethyl sulfite
PubChem CID87155657
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Nameethyl 1-fluoroethyl sulfite
SMILESCCOS(=O)OC(C)F
InChIInChI=1S/C4H9FO3S/c1-3-7-9(6)8-4(2)5/h4H,3H2,1-2H3
InChIKeyHATPAWZYNHZZCS-UHFFFAOYSA-N
XLogP0.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfurous acid, diethyl ester
CID 12197
Bis-(2-fluoroethyl) sulfite
CID 87155153
4-Fluorobutyl sulfite
CID 17910082
1-Fluoroethyl methyl sulfite
CID 87154789
2-Fluoroethyl methyl sulfite
CID 87154832
Ethyl 2-fluoroethyl sulfite
CID 87154973
Ethyl fluoromethyl sulfite
CID 87154992
Bis(1-fluoroethyl) sulfate
CID 87155284
Bis(1-fluoroethyl) sulfite
CID 87155384
Ethyl 1-fluoroethenyl sulfite
CID 87155448
Ethyl 1-fluoroethyl sulfate
CID 87155547
Ethyl 2,2,2-trifluoroethyl sulfite
CID 87155616

Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluoroethyl sulfite?
The IUPAC name of ethyl 1-fluoroethyl sulfite (CID 87155657) is ethyl 1-fluoroethyl sulfite.
What is the SMILES notation for ethyl 1-fluoroethyl sulfite?
The canonical SMILES for ethyl 1-fluoroethyl sulfite is CCOS(=O)OC(C)F.
What is the InChIKey of ethyl 1-fluoroethyl sulfite?
The InChIKey is HATPAWZYNHZZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-3-7-9(6)8-4(2)5/h4H,3H2,1-2H3.
What are the key properties of ethyl 1-fluoroethyl sulfite?
ethyl 1-fluoroethyl sulfite has a molecular weight of 156.18 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluoroethyl sulfite is sourced from PubChem (CID 87155657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).