4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one

C5H2F6O3 — CID 59128138

IUPAC4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(C(F)(F)F)C(C(F)(F)F)O1
InChIInChI=1S/C5H2F6O3/c6-4(7,8)1-2(5(9,10)11)14-3(12)13-1/h1-2H
InChIKeySGGPSSHEWWGIPZ-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.02
Rot. Bonds

About 4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one

4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 59128138) has the molecular formula C5H2F6O3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID59128138
Molecular FormulaC5H2F6O3
Molecular Weight224.06 g/mol
Exact Mass223.99
IUPAC Name4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(C(F)(F)F)C(C(F)(F)F)O1
InChIInChI=1S/C5H2F6O3/c6-4(7,8)1-2(5(9,10)11)14-3(12)13-1/h1-2H
InChIKeySGGPSSHEWWGIPZ-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one (CID 59128138) is 4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one is O=C1OC(C(F)(F)F)C(C(F)(F)F)O1.
What is the InChIKey of 4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is SGGPSSHEWWGIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O3/c6-4(7,8)1-2(5(9,10)11)14-3(12)13-1/h1-2H.
What are the key properties of 4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 224.06 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 59128138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).