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

C6H5F3O4 — CID 139390777

IUPAC4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one
SMILESO=c1occ(COCC(F)(F)F)o1
InChIInChI=1S/C6H5F3O4/c7-6(8,9)3-11-1-4-2-12-5(10)13-4/h2H,1,3H2
InChIKeyVFWGPRPVWUJJRR-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.31
Rot. Bonds3

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

4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one (PubChem CID 139390777) has the molecular formula C6H5F3O4 and a molecular weight of 198.10 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one
PubChem CID139390777
Molecular FormulaC6H5F3O4
Molecular Weight198.10 g/mol
Exact Mass198.01
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one
SMILESO=c1occ(COCC(F)(F)F)o1
InChIInChI=1S/C6H5F3O4/c7-6(8,9)3-11-1-4-2-12-5(10)13-4/h2H,1,3H2
InChIKeyVFWGPRPVWUJJRR-UHFFFAOYSA-N
XLogP1.31
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.31
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-dioxol-2-one?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one (CID 139390777) is 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one is O=c1occ(COCC(F)(F)F)o1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one?
The InChIKey is VFWGPRPVWUJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O4/c7-6(8,9)3-11-1-4-2-12-5(10)13-4/h2H,1,3H2.
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one?
4-(2,2,2-trifluoroethoxymethyl)-1,3-dioxol-2-one has a molecular weight of 198.10 g/mol, XLogP of 1.31, 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-dioxol-2-one is sourced from PubChem (CID 139390777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).