ethyl 3-(2-fluorophenyl)propanoate

C11H13FO2 — CID 14879014

IUPACethyl 3-(2-fluorophenyl)propanoate
SMILESCCOC(=O)CCc1ccccc1F
InChIInChI=1S/C11H13FO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3
InChIKeyXZVQFYQJXPVOMI-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.32
Rot. Bonds4

About ethyl 3-(2-fluorophenyl)propanoate

ethyl 3-(2-fluorophenyl)propanoate (PubChem CID 14879014) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is ethyl 3-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-fluorophenyl)propanoate
PubChem CID14879014
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Nameethyl 3-(2-fluorophenyl)propanoate
SMILESCCOC(=O)CCc1ccccc1F
InChIInChI=1S/C11H13FO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3
InChIKeyXZVQFYQJXPVOMI-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluorophenyl)propanoate?
The IUPAC name of ethyl 3-(2-fluorophenyl)propanoate (CID 14879014) is ethyl 3-(2-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 3-(2-fluorophenyl)propanoate?
The canonical SMILES for ethyl 3-(2-fluorophenyl)propanoate is CCOC(=O)CCc1ccccc1F.
What is the InChIKey of ethyl 3-(2-fluorophenyl)propanoate?
The InChIKey is XZVQFYQJXPVOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 3-(2-fluorophenyl)propanoate?
ethyl 3-(2-fluorophenyl)propanoate has a molecular weight of 196.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluorophenyl)propanoate is sourced from PubChem (CID 14879014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).