ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate

C11H11FO3 — CID 98056042

IUPACethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
SMILESCCOC(=O)[C@H](F)C(=O)c1ccccc1
InChIInChI=1S/C11H11FO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3/t9-/m1/s1
InChIKeyDTELMTOYSPFNNP-SECBINFHSA-N
MW210.20 g/mol
LogP1.77
Rot. Bonds4

About ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate

ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate (PubChem CID 98056042) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
PubChem CID98056042
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Nameethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
SMILESCCOC(=O)[C@H](F)C(=O)c1ccccc1
InChIInChI=1S/C11H11FO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3/t9-/m1/s1
InChIKeyDTELMTOYSPFNNP-SECBINFHSA-N
XLogP1.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate
CID 10330780
ethyl 2-cyano-3-oxo-3-phenylpropanoate
CID 3613418
ethyl 2-fluoro-3-(3-fluoro-4-methylphenyl)-3-oxopropanoate
CID 88642220
ethyl 2-methylsulfonyl-3-oxo-3-phenylpropanoate
CID 10707156
ethyl 2-benzoyl-4-oxopentanoate
CID 14689358
ethyl 2-fluoro-4-phenylpent-4-enoate
CID 166658649
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
ethyl 4-(2,2-difluoroacetyl)benzoate
CID 11333639
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
ethyl 2,2,3-trimethyl-4-oxo-4-phenylbutanoate
CID 101353023
ethyl 2-(2-hydroxy-1,3-dioxoinden-2-yl)-3-oxo-3-phenylpropanoate
CID 4963222
ethyl 5-amino-2-benzoyl-4,4-difluoro-5-oxopentanoate
CID 54590608

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate?
The IUPAC name of ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate (CID 98056042) is ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate?
The canonical SMILES for ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate is CCOC(=O)[C@H](F)C(=O)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate?
The InChIKey is DTELMTOYSPFNNP-SECBINFHSA-N. The full InChI is InChI=1S/C11H11FO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate?
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate has a molecular weight of 210.20 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate is sourced from PubChem (CID 98056042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).