ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate

C14H17FO4 — CID 150675408

IUPACethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate
SMILESCCOC(=O)CC(Cc1ccc(F)cc1)OCC=O
InChIInChI=1S/C14H17FO4/c1-2-18-14(17)10-13(19-8-7-16)9-11-3-5-12(15)6-4-11/h3-7,13H,2,8-10H2,1H3
InChIKeyJGTZVLPCXHIOBJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.91
Rot. Bonds8

About ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate

ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate (PubChem CID 150675408) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate
PubChem CID150675408
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Nameethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate
SMILESCCOC(=O)CC(Cc1ccc(F)cc1)OCC=O
InChIInChI=1S/C14H17FO4/c1-2-18-14(17)10-13(19-8-7-16)9-11-3-5-12(15)6-4-11/h3-7,13H,2,8-10H2,1H3
InChIKeyJGTZVLPCXHIOBJ-UHFFFAOYSA-N
XLogP1.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate (CID 150675408) is ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate is CCOC(=O)CC(Cc1ccc(F)cc1)OCC=O.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate?
The InChIKey is JGTZVLPCXHIOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-2-18-14(17)10-13(19-8-7-16)9-11-3-5-12(15)6-4-11/h3-7,13H,2,8-10H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate?
ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate has a molecular weight of 268.28 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-3-(2-oxoethoxy)butanoate is sourced from PubChem (CID 150675408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).