[1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate

C14H22F2O5 — CID 118261283

IUPAC[1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate
SMILESCC(=O)OCC(COC(C)(F)F)OC(=O)C1CCCCC1
InChIInChI=1S/C14H22F2O5/c1-10(17)19-8-12(9-20-14(2,15)16)21-13(18)11-6-4-3-5-7-11/h11-12H,3-9H2,1-2H3
InChIKeyGVUJUADGPBFRMZ-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.67
Rot. Bonds7

About [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate

[1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate (PubChem CID 118261283) has the molecular formula C14H22F2O5 and a molecular weight of 308.32 g/mol. Its IUPAC name is [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate
PubChem CID118261283
Molecular FormulaC14H22F2O5
Molecular Weight308.32 g/mol
Exact Mass308.14
IUPAC Name[1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate
SMILESCC(=O)OCC(COC(C)(F)F)OC(=O)C1CCCCC1
InChIInChI=1S/C14H22F2O5/c1-10(17)19-8-12(9-20-14(2,15)16)21-13(18)11-6-4-3-5-7-11/h11-12H,3-9H2,1-2H3
InChIKeyGVUJUADGPBFRMZ-UHFFFAOYSA-N
XLogP2.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate 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 [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate?
The IUPAC name of [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate (CID 118261283) is [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate.
What is the SMILES notation for [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate?
The canonical SMILES for [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate is CC(=O)OCC(COC(C)(F)F)OC(=O)C1CCCCC1.
What is the InChIKey of [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate?
The InChIKey is GVUJUADGPBFRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O5/c1-10(17)19-8-12(9-20-14(2,15)16)21-13(18)11-6-4-3-5-7-11/h11-12H,3-9H2,1-2H3.
What are the key properties of [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate?
[1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate has a molecular weight of 308.32 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate is sourced from PubChem (CID 118261283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).