ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate

C16H15FO4 — CID 79361865

IUPACethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate
SMILESCCOC(=O)C(F)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15FO4/c1-2-19-16(18)15(17)21-14-10-8-13(9-11-14)20-12-6-4-3-5-7-12/h3-11,15H,2H2,1H3
InChIKeyCFYGCRQYZDOOBB-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.72
Rot. Bonds6

About ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate

ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate (PubChem CID 79361865) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate
PubChem CID79361865
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Nameethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate
SMILESCCOC(=O)C(F)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15FO4/c1-2-19-16(18)15(17)21-14-10-8-13(9-11-14)20-12-6-4-3-5-7-12/h3-11,15H,2H2,1H3
InChIKeyCFYGCRQYZDOOBB-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate
CID 79356641
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate
CID 113497366
diethyl 2-phenoxybutanedioate
CID 72766015
ethyl 2-fluoro-2-(2-formylphenoxy)acetate
CID 146450641
2-(4-phenoxyphenoxy)propanedioic acid
CID 18516803
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl (2S,3S)-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 11333326
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-(carbamoylamino)-2-phenoxyacetate
CID 154269905
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
diethyl 2-[(3-phenoxyphenyl)methyl]propanedioate
CID 10569299

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate (CID 79361865) is ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate is CCOC(=O)C(F)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate?
The InChIKey is CFYGCRQYZDOOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-2-19-16(18)15(17)21-14-10-8-13(9-11-14)20-12-6-4-3-5-7-12/h3-11,15H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate?
ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate has a molecular weight of 290.29 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate is sourced from PubChem (CID 79361865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).