4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide

C4H6F2O3S — CID 118152025

IUPAC4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide
SMILESO=S1OC(F)C(CCF)O1
InChIInChI=1S/C4H6F2O3S/c5-2-1-3-4(6)9-10(7)8-3/h3-4H,1-2H2
InChIKeyBNHSBCHRWCSQMX-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.64
Rot. Bonds2

About 4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide

4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide (PubChem CID 118152025) has the molecular formula C4H6F2O3S and a molecular weight of 172.15 g/mol. Its IUPAC name is 4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide
PubChem CID118152025
Molecular FormulaC4H6F2O3S
Molecular Weight172.15 g/mol
Exact Mass172.00
IUPAC Name4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide
SMILESO=S1OC(F)C(CCF)O1
InChIInChI=1S/C4H6F2O3S/c5-2-1-3-4(6)9-10(7)8-3/h3-4H,1-2H2
InChIKeyBNHSBCHRWCSQMX-UHFFFAOYSA-N
XLogP0.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of 4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide (CID 118152025) is 4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for 4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for 4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide is O=S1OC(F)C(CCF)O1.
What is the InChIKey of 4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide?
The InChIKey is BNHSBCHRWCSQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O3S/c5-2-1-3-4(6)9-10(7)8-3/h3-4H,1-2H2.
What are the key properties of 4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide?
4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide has a molecular weight of 172.15 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 118152025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).