ethyl (2R)-2-fluoro-2-phenylacetate

C10H11FO2 — CID 24821994

IUPACethyl (2R)-2-fluoro-2-phenylacetate
SMILESCCOC(=O)[C@H](F)c1ccccc1
InChIInChI=1S/C10H11FO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3/t9-/m1/s1
InChIKeyQSMFFTZAVJGGTB-SECBINFHSA-N
MW182.19 g/mol
LogP2.26
Rot. Bonds3

About ethyl (2R)-2-fluoro-2-phenylacetate

ethyl (2R)-2-fluoro-2-phenylacetate (PubChem CID 24821994) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is ethyl (2R)-2-fluoro-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-fluoro-2-phenylacetate
PubChem CID24821994
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Nameethyl (2R)-2-fluoro-2-phenylacetate
SMILESCCOC(=O)[C@H](F)c1ccccc1
InChIInChI=1S/C10H11FO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3/t9-/m1/s1
InChIKeyQSMFFTZAVJGGTB-SECBINFHSA-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 (2R)-2-fluoro-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-fluoro-2-phenylacetate (CID 24821994) is ethyl (2R)-2-fluoro-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-fluoro-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-fluoro-2-phenylacetate is CCOC(=O)[C@H](F)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-fluoro-2-phenylacetate?
The InChIKey is QSMFFTZAVJGGTB-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-fluoro-2-phenylacetate?
ethyl (2R)-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 (2R)-2-fluoro-2-phenylacetate is sourced from PubChem (CID 24821994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).