ethyl 2-fluoro-2-phenylacetate

C10H11FO2 — CID 10866965

IUPACethyl 2-fluoro-2-phenylacetate
SMILESCCOC(=O)C(F)c1ccccc1
InChIInChI=1S/C10H11FO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyQSMFFTZAVJGGTB-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.26
Rot. Bonds3

About ethyl 2-fluoro-2-phenylacetate

ethyl 2-fluoro-2-phenylacetate (PubChem CID 10866965) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-phenylacetate
PubChem CID10866965
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Nameethyl 2-fluoro-2-phenylacetate
SMILESCCOC(=O)C(F)c1ccccc1
InChIInChI=1S/C10H11FO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyQSMFFTZAVJGGTB-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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-phenylacetate?
The IUPAC name of ethyl 2-fluoro-2-phenylacetate (CID 10866965) is ethyl 2-fluoro-2-phenylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-phenylacetate?
The canonical SMILES for ethyl 2-fluoro-2-phenylacetate is CCOC(=O)C(F)c1ccccc1.
What is the InChIKey of ethyl 2-fluoro-2-phenylacetate?
The InChIKey is QSMFFTZAVJGGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-phenylacetate?
ethyl 2-fluoro-2-phenylacetate has a molecular weight of 182.19 g/mol, XLogP of 2.26, 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-phenylacetate is sourced from PubChem (CID 10866965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).