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

C11H10FNO3 — CID 139239215

IUPACethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@](O)(C#N)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO3/c1-2-16-10(14)11(15,7-13)8-3-5-9(12)6-4-8/h3-6,15H,2H2,1H3/t11-/m0/s1
InChIKeyCWDWZVANKLTUHP-NSHDSACASA-N
MW223.20 g/mol
LogP1.10
Rot. Bonds3

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

ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate (PubChem CID 139239215) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate
PubChem CID139239215
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Nameethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@](O)(C#N)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO3/c1-2-16-10(14)11(15,7-13)8-3-5-9(12)6-4-8/h3-6,15H,2H2,1H3/t11-/m0/s1
InChIKeyCWDWZVANKLTUHP-NSHDSACASA-N
XLogP1.10
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate (CID 139239215) is ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate is CCOC(=O)[C@](O)(C#N)c1ccc(F)cc1.
What is the InChIKey of ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate?
The InChIKey is CWDWZVANKLTUHP-NSHDSACASA-N. The full InChI is InChI=1S/C11H10FNO3/c1-2-16-10(14)11(15,7-13)8-3-5-9(12)6-4-8/h3-6,15H,2H2,1H3/t11-/m0/s1.
What are the key properties of ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate?
ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate has a molecular weight of 223.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-cyano-2-(4-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 139239215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).