ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate

C24H28F2O5 — CID 139438424

IUPACethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate
SMILESCCOC(=O)C(F)(F)C1CC(OCc2ccccc2)CC(COCc2ccccc2)O1
InChIInChI=1S/C24H28F2O5/c1-2-29-23(27)24(25,26)22-14-20(30-16-19-11-7-4-8-12-19)13-21(31-22)17-28-15-18-9-5-3-6-10-18/h3-12,20-22H,2,13-17H2,1H3
InChIKeyVDTQTBXCCGRSSK-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.53
Rot. Bonds10

About ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate

ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate (PubChem CID 139438424) has the molecular formula C24H28F2O5 and a molecular weight of 434.48 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate
PubChem CID139438424
Molecular FormulaC24H28F2O5
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Nameethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate
SMILESCCOC(=O)C(F)(F)C1CC(OCc2ccccc2)CC(COCc2ccccc2)O1
InChIInChI=1S/C24H28F2O5/c1-2-29-23(27)24(25,26)22-14-20(30-16-19-11-7-4-8-12-19)13-21(31-22)17-28-15-18-9-5-3-6-10-18/h3-12,20-22H,2,13-17H2,1H3
InChIKeyVDTQTBXCCGRSSK-UHFFFAOYSA-N
XLogP4.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate 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 ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate?
The IUPAC name of ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate (CID 139438424) is ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate is CCOC(=O)C(F)(F)C1CC(OCc2ccccc2)CC(COCc2ccccc2)O1.
What is the InChIKey of ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate?
The InChIKey is VDTQTBXCCGRSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2O5/c1-2-29-23(27)24(25,26)22-14-20(30-16-19-11-7-4-8-12-19)13-21(31-22)17-28-15-18-9-5-3-6-10-18/h3-12,20-22H,2,13-17H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate?
ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate has a molecular weight of 434.48 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-[4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetate is sourced from PubChem (CID 139438424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).