4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one

C6H7F3O4 — CID 14149935

IUPAC4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC(F)(F)F)O1
InChIInChI=1S/C6H7F3O4/c7-6(8,9)3-11-1-4-2-12-5(10)13-4/h4H,1-3H2
InChIKeyQDFMYAZITHTQER-UHFFFAOYSA-N
MW200.11 g/mol
LogP1.10
Rot. Bonds3

About 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one

4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one (PubChem CID 14149935) has the molecular formula C6H7F3O4 and a molecular weight of 200.11 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one
PubChem CID14149935
Molecular FormulaC6H7F3O4
Molecular Weight200.11 g/mol
Exact Mass200.03
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC(F)(F)F)O1
InChIInChI=1S/C6H7F3O4/c7-6(8,9)3-11-1-4-2-12-5(10)13-4/h4H,1-3H2
InChIKeyQDFMYAZITHTQER-UHFFFAOYSA-N
XLogP1.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one (CID 14149935) is 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one is O=C1OCC(COCC(F)(F)F)O1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is QDFMYAZITHTQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O4/c7-6(8,9)3-11-1-4-2-12-5(10)13-4/h4H,1-3H2.
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one?
4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 200.11 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 14149935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).