ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate

C31H34F2O6 — CID 134292412

IUPACethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)[C@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C31H34F2O6/c1-2-36-30(34)31(32,33)28-18-26(37-20-24-14-8-4-9-15-24)29(38-21-25-16-10-5-11-17-25)27(39-28)22-35-19-23-12-6-3-7-13-23/h3-17,26-29H,2,18-22H2,1H3/t26-,27-,28-,29-/m1/s1
InChIKeyJDOABJYZWWRNQH-CXDXLJMYSA-N
MW540.60 g/mol
LogP5.73
Rot. Bonds13

About ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate

ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate (PubChem CID 134292412) has the molecular formula C31H34F2O6 and a molecular weight of 540.60 g/mol. Its IUPAC name is ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate
PubChem CID134292412
Molecular FormulaC31H34F2O6
Molecular Weight540.60 g/mol
Exact Mass540.23
IUPAC Nameethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)[C@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C31H34F2O6/c1-2-36-30(34)31(32,33)28-18-26(37-20-24-14-8-4-9-15-24)29(38-21-25-16-10-5-11-17-25)27(39-28)22-35-19-23-12-6-3-7-13-23/h3-17,26-29H,2,18-22H2,1H3/t26-,27-,28-,29-/m1/s1
InChIKeyJDOABJYZWWRNQH-CXDXLJMYSA-N
XLogP5.73
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.60
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate 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-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate?
The IUPAC name of ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate (CID 134292412) is ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate is CCOC(=O)C(F)(F)[C@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate?
The InChIKey is JDOABJYZWWRNQH-CXDXLJMYSA-N. The full InChI is InChI=1S/C31H34F2O6/c1-2-36-30(34)31(32,33)28-18-26(37-20-24-14-8-4-9-15-24)29(38-21-25-16-10-5-11-17-25)27(39-28)22-35-19-23-12-6-3-7-13-23/h3-17,26-29H,2,18-22H2,1H3/t26-,27-,28-,29-/m1/s1.
What are the key properties of ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate?
ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate has a molecular weight of 540.60 g/mol, XLogP of 5.73, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2,2-difluoroacetate is sourced from PubChem (CID 134292412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).