ethyl 2-(4-fluorophenyl)acetate

C10H11FO2 — CID 3013910

IUPACethyl 2-(4-fluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H11FO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKeyVMWJHHAOVXQCLE-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.93
Rot. Bonds3

About ethyl 2-(4-fluorophenyl)acetate

ethyl 2-(4-fluorophenyl)acetate (PubChem CID 3013910) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)acetate
PubChem CID3013910
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Nameethyl 2-(4-fluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H11FO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKeyVMWJHHAOVXQCLE-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(4-fluorophenyl)acetate (CID 3013910) is ethyl 2-(4-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)acetate is CCOC(=O)Cc1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)acetate?
The InChIKey is VMWJHHAOVXQCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)acetate?
ethyl 2-(4-fluorophenyl)acetate has a molecular weight of 182.19 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 3013910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).