2-fluoroethyl 2-(4-methoxyphenyl)acetate

C11H13FO3 — CID 20235

IUPAC2-fluoroethyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCF)cc1
InChIInChI=1S/C11H13FO3/c1-14-10-4-2-9(3-5-10)8-11(13)15-7-6-12/h2-5H,6-8H2,1H3
InChIKeyUAAWUFLHOXJOAS-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.75
Rot. Bonds5

About 2-fluoroethyl 2-(4-methoxyphenyl)acetate

2-fluoroethyl 2-(4-methoxyphenyl)acetate (PubChem CID 20235) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-fluoroethyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name2-fluoroethyl 2-(4-methoxyphenyl)acetate
PubChem CID20235
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-fluoroethyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCF)cc1
InChIInChI=1S/C11H13FO3/c1-14-10-4-2-9(3-5-10)8-11(13)15-7-6-12/h2-5H,6-8H2,1H3
InChIKeyUAAWUFLHOXJOAS-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-(4-methoxyphenyl)acetate?
The IUPAC name of 2-fluoroethyl 2-(4-methoxyphenyl)acetate (CID 20235) is 2-fluoroethyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for 2-fluoroethyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for 2-fluoroethyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCCF)cc1.
What is the InChIKey of 2-fluoroethyl 2-(4-methoxyphenyl)acetate?
The InChIKey is UAAWUFLHOXJOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-14-10-4-2-9(3-5-10)8-11(13)15-7-6-12/h2-5H,6-8H2,1H3.
What are the key properties of 2-fluoroethyl 2-(4-methoxyphenyl)acetate?
2-fluoroethyl 2-(4-methoxyphenyl)acetate has a molecular weight of 212.22 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 20235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).