1-fluoroethyl ethylsulfanylformate

C5H9FO2S — CID 89415264

IUPAC1-fluoroethyl ethylsulfanylformate
SMILESCCSC(=O)OC(C)F
InChIInChI=1S/C5H9FO2S/c1-3-9-5(7)8-4(2)6/h4H,3H2,1-2H3
InChIKeyGEOIMNSALTUQMC-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.19
Rot. Bonds2

About 1-fluoroethyl ethylsulfanylformate

1-fluoroethyl ethylsulfanylformate (PubChem CID 89415264) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-fluoroethyl ethylsulfanylformate.

Molecular Properties

Compound Name1-fluoroethyl ethylsulfanylformate
PubChem CID89415264
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name1-fluoroethyl ethylsulfanylformate
SMILESCCSC(=O)OC(C)F
InChIInChI=1S/C5H9FO2S/c1-3-9-5(7)8-4(2)6/h4H,3H2,1-2H3
InChIKeyGEOIMNSALTUQMC-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl ethylsulfanylformate?
The IUPAC name of 1-fluoroethyl ethylsulfanylformate (CID 89415264) is 1-fluoroethyl ethylsulfanylformate.
What is the SMILES notation for 1-fluoroethyl ethylsulfanylformate?
The canonical SMILES for 1-fluoroethyl ethylsulfanylformate is CCSC(=O)OC(C)F.
What is the InChIKey of 1-fluoroethyl ethylsulfanylformate?
The InChIKey is GEOIMNSALTUQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2S/c1-3-9-5(7)8-4(2)6/h4H,3H2,1-2H3.
What are the key properties of 1-fluoroethyl ethylsulfanylformate?
1-fluoroethyl ethylsulfanylformate has a molecular weight of 152.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl ethylsulfanylformate is sourced from PubChem (CID 89415264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).