ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate

C21H27FO2Si — CID 101269308

IUPACethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate
SMILESCCOC(=O)[C@H](C)[C@@H](C(C)C)[Si](F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27FO2Si/c1-5-24-21(23)17(4)20(16(2)3)25(22,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,20H,5H2,1-4H3/t17-,20-/m1/s1
InChIKeyHXWBDTRRSHGXLG-YLJYHZDGSA-N
MW358.53 g/mol
LogP3.94
Rot. Bonds7

About ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate

ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate (PubChem CID 101269308) has the molecular formula C21H27FO2Si and a molecular weight of 358.53 g/mol. Its IUPAC name is ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate
PubChem CID101269308
Molecular FormulaC21H27FO2Si
Molecular Weight358.53 g/mol
Exact Mass358.18
IUPAC Nameethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate
SMILESCCOC(=O)[C@H](C)[C@@H](C(C)C)[Si](F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27FO2Si/c1-5-24-21(23)17(4)20(16(2)3)25(22,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,20H,5H2,1-4H3/t17-,20-/m1/s1
InChIKeyHXWBDTRRSHGXLG-YLJYHZDGSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate 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 (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate?
The IUPAC name of ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate (CID 101269308) is ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate.
What is the SMILES notation for ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate?
The canonical SMILES for ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate is CCOC(=O)[C@H](C)[C@@H](C(C)C)[Si](F)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate?
The InChIKey is HXWBDTRRSHGXLG-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H27FO2Si/c1-5-24-21(23)17(4)20(16(2)3)25(22,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,20H,5H2,1-4H3/t17-,20-/m1/s1.
What are the key properties of ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate?
ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate has a molecular weight of 358.53 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-3-[fluoro(diphenyl)silyl]-2,4-dimethylpentanoate is sourced from PubChem (CID 101269308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).