methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate

C16H13FO3 — CID 134916444

IUPACmethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
SMILESCOC(=O)C(=O)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13FO3/c1-20-15(19)14(18)16(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyLVLOXMOGKRAJAI-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.64
Rot. Bonds4

About methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate

methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate (PubChem CID 134916444) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
PubChem CID134916444
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Namemethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
SMILESCOC(=O)C(=O)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13FO3/c1-20-15(19)14(18)16(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyLVLOXMOGKRAJAI-UHFFFAOYSA-N
XLogP2.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
methyl 2-oxo-3,3-diphenylbutanoate
CID 44668509
methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate
CID 165389116
2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate
CID 162063931
methyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
CID 3841925
dimethyl 3-methoxy-2,5-dioxo-3,4-diphenylhexanedioate
CID 14069669
methyl (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylbutanoate
CID 23234237
methyl (2E)-2-diazo-3-oxo-4,4-diphenylpentanoate
CID 135978831
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
methyl 2-amino-4,4-difluoro-4-phenylbutanoate
CID 66940111
methyl (3S)-3-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 125468078

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate?
The IUPAC name of methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate (CID 134916444) is methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate.
What is the SMILES notation for methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate?
The canonical SMILES for methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate is COC(=O)C(=O)C(F)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate?
The InChIKey is LVLOXMOGKRAJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-20-15(19)14(18)16(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate?
methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate has a molecular weight of 272.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate is sourced from PubChem (CID 134916444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).