1-fluoroethyl methyl sulfite

C3H7FO3S — CID 87154789

IUPAC1-fluoroethyl methyl sulfite
SMILESCOS(=O)OC(C)F
InChIInChI=1S/C3H7FO3S/c1-3(4)7-8(5)6-2/h3H,1-2H3
InChIKeyKWLSFGKTTIOJNK-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.54
Rot. Bonds3

About 1-fluoroethyl methyl sulfite

1-fluoroethyl methyl sulfite (PubChem CID 87154789) has the molecular formula C3H7FO3S and a molecular weight of 142.15 g/mol. Its IUPAC name is 1-fluoroethyl methyl sulfite.

Molecular Properties

Compound Name1-fluoroethyl methyl sulfite
PubChem CID87154789
Molecular FormulaC3H7FO3S
Molecular Weight142.15 g/mol
Exact Mass142.01
IUPAC Name1-fluoroethyl methyl sulfite
SMILESCOS(=O)OC(C)F
InChIInChI=1S/C3H7FO3S/c1-3(4)7-8(5)6-2/h3H,1-2H3
InChIKeyKWLSFGKTTIOJNK-UHFFFAOYSA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl methyl sulfite?
The IUPAC name of 1-fluoroethyl methyl sulfite (CID 87154789) is 1-fluoroethyl methyl sulfite.
What is the SMILES notation for 1-fluoroethyl methyl sulfite?
The canonical SMILES for 1-fluoroethyl methyl sulfite is COS(=O)OC(C)F.
What is the InChIKey of 1-fluoroethyl methyl sulfite?
The InChIKey is KWLSFGKTTIOJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO3S/c1-3(4)7-8(5)6-2/h3H,1-2H3.
What are the key properties of 1-fluoroethyl methyl sulfite?
1-fluoroethyl methyl sulfite has a molecular weight of 142.15 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl methyl sulfite is sourced from PubChem (CID 87154789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).