methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate

C17H23FO4 — CID 134945091

IUPACmethyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate
SMILESCC[C@@H](c1cccc(OC)c1)[C@](F)(C(=O)OC)C(=O)C(C)C
InChIInChI=1S/C17H23FO4/c1-6-14(12-8-7-9-13(10-12)21-4)17(18,16(20)22-5)15(19)11(2)3/h7-11,14H,6H2,1-5H3/t14-,17+/m0/s1
InChIKeyFLHUWSLXJKCTQE-WMLDXEAASA-N
MW310.37 g/mol
LogP3.30
Rot. Bonds7

About methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate

methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate (PubChem CID 134945091) has the molecular formula C17H23FO4 and a molecular weight of 310.37 g/mol. Its IUPAC name is methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate
PubChem CID134945091
Molecular FormulaC17H23FO4
Molecular Weight310.37 g/mol
Exact Mass310.16
IUPAC Namemethyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate
SMILESCC[C@@H](c1cccc(OC)c1)[C@](F)(C(=O)OC)C(=O)C(C)C
InChIInChI=1S/C17H23FO4/c1-6-14(12-8-7-9-13(10-12)21-4)17(18,16(20)22-5)15(19)11(2)3/h7-11,14H,6H2,1-5H3/t14-,17+/m0/s1
InChIKeyFLHUWSLXJKCTQE-WMLDXEAASA-N
XLogP3.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate 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 methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate?
The IUPAC name of methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate (CID 134945091) is methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate.
What is the SMILES notation for methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate?
The canonical SMILES for methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate is CC[C@@H](c1cccc(OC)c1)[C@](F)(C(=O)OC)C(=O)C(C)C.
What is the InChIKey of methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate?
The InChIKey is FLHUWSLXJKCTQE-WMLDXEAASA-N. The full InChI is InChI=1S/C17H23FO4/c1-6-14(12-8-7-9-13(10-12)21-4)17(18,16(20)22-5)15(19)11(2)3/h7-11,14H,6H2,1-5H3/t14-,17+/m0/s1.
What are the key properties of methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate?
methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate has a molecular weight of 310.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-fluoro-2-[(1S)-1-(3-methoxyphenyl)propyl]-4-methyl-3-oxopentanoate is sourced from PubChem (CID 134945091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).