5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

C27H28F2O5 — CID 153362035

IUPAC5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESOC1(OCc2ccccc2)OC(COCc2ccccc2)C(F)(F)CC1OCc1ccccc1
InChIInChI=1S/C27H28F2O5/c28-26(29)16-24(32-18-22-12-6-2-7-13-22)27(30,33-19-23-14-8-3-9-15-23)34-25(26)20-31-17-21-10-4-1-5-11-21/h1-15,24-25,30H,16-20H2
InChIKeyCSXPGKAZLXFGOW-UHFFFAOYSA-N
MW470.51 g/mol
LogP5.08
Rot. Bonds10

About 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 153362035) has the molecular formula C27H28F2O5 and a molecular weight of 470.51 g/mol. Its IUPAC name is 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
PubChem CID153362035
Molecular FormulaC27H28F2O5
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESOC1(OCc2ccccc2)OC(COCc2ccccc2)C(F)(F)CC1OCc1ccccc1
InChIInChI=1S/C27H28F2O5/c28-26(29)16-24(32-18-22-12-6-2-7-13-22)27(30,33-19-23-14-8-3-9-15-23)34-25(26)20-31-17-21-10-4-1-5-11-21/h1-15,24-25,30H,16-20H2
InChIKeyCSXPGKAZLXFGOW-UHFFFAOYSA-N
XLogP5.08
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3R,4R,6R)-5,5-difluoro-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 86619972
3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 150125273
2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 150254240
3,3,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 141437392
4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol
CID 142669372
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
CID 141224072
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
(2S,3R,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 118108846
(4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 163445838
3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 160984171
3,3-difluoro-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 123956429

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The IUPAC name of 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (CID 153362035) is 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.
What is the SMILES notation for 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The canonical SMILES for 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is OC1(OCc2ccccc2)OC(COCc2ccccc2)C(F)(F)CC1OCc1ccccc1.
What is the InChIKey of 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The InChIKey is CSXPGKAZLXFGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2O5/c28-26(29)16-24(32-18-22-12-6-2-7-13-22)27(30,33-19-23-14-8-3-9-15-23)34-25(26)20-31-17-21-10-4-1-5-11-21/h1-15,24-25,30H,16-20H2.
What are the key properties of 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 470.51 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 153362035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).