4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide

C4H6F2O3S — CID 118151972

IUPAC4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
SMILESO=S1OC(CF)C(CF)O1
InChIInChI=1S/C4H6F2O3S/c5-1-3-4(2-6)9-10(7)8-3/h3-4H,1-2H2
InChIKeyAFOWGUGYTAJZMP-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.29
Rot. Bonds2

About 4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide

4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide (PubChem CID 118151972) has the molecular formula C4H6F2O3S and a molecular weight of 172.15 g/mol. Its IUPAC name is 4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
PubChem CID118151972
Molecular FormulaC4H6F2O3S
Molecular Weight172.15 g/mol
Exact Mass172.00
IUPAC Name4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
SMILESO=S1OC(CF)C(CF)O1
InChIInChI=1S/C4H6F2O3S/c5-1-3-4(2-6)9-10(7)8-3/h3-4H,1-2H2
InChIKeyAFOWGUGYTAJZMP-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of 4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide (CID 118151972) is 4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for 4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for 4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide is O=S1OC(CF)C(CF)O1.
What is the InChIKey of 4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
The InChIKey is AFOWGUGYTAJZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O3S/c5-1-3-4(2-6)9-10(7)8-3/h3-4H,1-2H2.
What are the key properties of 4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide has a molecular weight of 172.15 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 118151972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).