[3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate

C18H14F2O6 — CID 3113901

IUPAC[3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate
SMILESO=C(OC1OCCOC1OC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H14F2O6/c19-13-5-1-11(2-6-13)15(21)25-17-18(24-10-9-23-17)26-16(22)12-3-7-14(20)8-4-12/h1-8,17-18H,9-10H2
InChIKeyCIFMCHJRVYHYGA-UHFFFAOYSA-N
MW364.30 g/mol
LogP2.68
Rot. Bonds4

About [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate

[3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate (PubChem CID 3113901) has the molecular formula C18H14F2O6 and a molecular weight of 364.30 g/mol. Its IUPAC name is [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate
PubChem CID3113901
Molecular FormulaC18H14F2O6
Molecular Weight364.30 g/mol
Exact Mass364.08
IUPAC Name[3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate
SMILESO=C(OC1OCCOC1OC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H14F2O6/c19-13-5-1-11(2-6-13)15(21)25-17-18(24-10-9-23-17)26-16(22)12-3-7-14(20)8-4-12/h1-8,17-18H,9-10H2
InChIKeyCIFMCHJRVYHYGA-UHFFFAOYSA-N
XLogP2.68
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate?
The IUPAC name of [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate (CID 3113901) is [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate.
What is the SMILES notation for [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate?
The canonical SMILES for [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate is O=C(OC1OCCOC1OC(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate?
The InChIKey is CIFMCHJRVYHYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2O6/c19-13-5-1-11(2-6-13)15(21)25-17-18(24-10-9-23-17)26-16(22)12-3-7-14(20)8-4-12/h1-8,17-18H,9-10H2.
What are the key properties of [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate?
[3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate has a molecular weight of 364.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorobenzoyl)oxy-1,4-dioxan-2-yl] 4-fluorobenzoate is sourced from PubChem (CID 3113901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).