ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate

C10H11FO3 — CID 46912063

IUPACethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3/t9-/m1/s1
InChIKeyCNCGHQKCIUHNRW-SECBINFHSA-N
MW198.19 g/mol
LogP1.42
Rot. Bonds3

About ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate

ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate (PubChem CID 46912063) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate
PubChem CID46912063
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Nameethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3/t9-/m1/s1
InChIKeyCNCGHQKCIUHNRW-SECBINFHSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate (CID 46912063) is ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate is CCOC(=O)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate?
The InChIKey is CNCGHQKCIUHNRW-SECBINFHSA-N. The full InChI is InChI=1S/C10H11FO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate?
ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate has a molecular weight of 198.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 46912063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).