ethyl 2-fluoro-2-phenylpropanoate

C11H13FO2 — CID 14533813

IUPACethyl 2-fluoro-2-phenylpropanoate
SMILESCCOC(=O)C(C)(F)c1ccccc1
InChIInChI=1S/C11H13FO2/c1-3-14-10(13)11(2,12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyUFQRMTWDXIONOA-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.43
Rot. Bonds3

About ethyl 2-fluoro-2-phenylpropanoate

ethyl 2-fluoro-2-phenylpropanoate (PubChem CID 14533813) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is ethyl 2-fluoro-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-phenylpropanoate
PubChem CID14533813
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Nameethyl 2-fluoro-2-phenylpropanoate
SMILESCCOC(=O)C(C)(F)c1ccccc1
InChIInChI=1S/C11H13FO2/c1-3-14-10(13)11(2,12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyUFQRMTWDXIONOA-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-phenylpropanoate?
The IUPAC name of ethyl 2-fluoro-2-phenylpropanoate (CID 14533813) is ethyl 2-fluoro-2-phenylpropanoate.
What is the SMILES notation for ethyl 2-fluoro-2-phenylpropanoate?
The canonical SMILES for ethyl 2-fluoro-2-phenylpropanoate is CCOC(=O)C(C)(F)c1ccccc1.
What is the InChIKey of ethyl 2-fluoro-2-phenylpropanoate?
The InChIKey is UFQRMTWDXIONOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-3-14-10(13)11(2,12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-phenylpropanoate?
ethyl 2-fluoro-2-phenylpropanoate has a molecular weight of 196.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-phenylpropanoate is sourced from PubChem (CID 14533813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).