methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate

C18H17FO3 — CID 164670038

IUPACmethyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate
SMILESCOC(=O)[C@@H](c1ccccc1)[C@H](c1ccccc1)[C@@H](F)C=O
InChIInChI=1S/C18H17FO3/c1-22-18(21)17(14-10-6-3-7-11-14)16(15(19)12-20)13-8-4-2-5-9-13/h2-12,15-17H,1H3/t15-,16+,17-/m0/s1
InChIKeySUOSLVMPXRZQCZ-BBWFWOEESA-N
MW300.33 g/mol
LogP3.26
Rot. Bonds6

About methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate

methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate (PubChem CID 164670038) has the molecular formula C18H17FO3 and a molecular weight of 300.33 g/mol. Its IUPAC name is methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate.

Molecular Properties

Compound Namemethyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate
PubChem CID164670038
Molecular FormulaC18H17FO3
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Namemethyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate
SMILESCOC(=O)[C@@H](c1ccccc1)[C@H](c1ccccc1)[C@@H](F)C=O
InChIInChI=1S/C18H17FO3/c1-22-18(21)17(14-10-6-3-7-11-14)16(15(19)12-20)13-8-4-2-5-9-13/h2-12,15-17H,1H3/t15-,16+,17-/m0/s1
InChIKeySUOSLVMPXRZQCZ-BBWFWOEESA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
CID 72723306
methyl 3-iodo-2,3-diphenylpropanoate
CID 10451510
dimethyl 2-(2-oxo-1-phenylethyl)propanedioate
CID 10933918
methyl 3-methyl-4-oxo-2-phenylpentanoate
CID 101419627
dimethyl 2-acetyl-3-phenylbutanedioate
CID 67244265
methyl (2S,3R)-3-fluoro-2-methyl-3-phenylpropanoate
CID 12617133
methyl (2S,3S)-3-fluoro-2-methyl-3-phenylpropanoate
CID 23234221
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
methyl 3-methyl-2-(4-phenylphenyl)butanoate
CID 65454371
methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 11108847
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl (2S)-2-[(S)-fluoro(phenyl)methyl]-3-methylbutanoate
CID 23234245

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate?
The IUPAC name of methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate (CID 164670038) is methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate.
What is the SMILES notation for methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate?
The canonical SMILES for methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate is COC(=O)[C@@H](c1ccccc1)[C@H](c1ccccc1)[C@@H](F)C=O.
What is the InChIKey of methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate?
The InChIKey is SUOSLVMPXRZQCZ-BBWFWOEESA-N. The full InChI is InChI=1S/C18H17FO3/c1-22-18(21)17(14-10-6-3-7-11-14)16(15(19)12-20)13-8-4-2-5-9-13/h2-12,15-17H,1H3/t15-,16+,17-/m0/s1.
What are the key properties of methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate?
methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate has a molecular weight of 300.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate is sourced from PubChem (CID 164670038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).