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

C16H14F2O3 — CID 138979288

IUPACethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@](O)(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H14F2O3/c1-2-21-15(19)16(20,11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)18/h3-10,20H,2H2,1H3/t16-/m0/s1
InChIKeyBHPANDCPDPZVLX-INIZCTEOSA-N
MW292.28 g/mol
LogP2.76
Rot. Bonds4

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

ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate (PubChem CID 138979288) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate
PubChem CID138979288
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Nameethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@](O)(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H14F2O3/c1-2-21-15(19)16(20,11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)18/h3-10,20H,2H2,1H3/t16-/m0/s1
InChIKeyBHPANDCPDPZVLX-INIZCTEOSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclandelate
CID 2893
Benactyzine
CID 9330
Chlorobenzilate
CID 10522
Benzilic acid
CID 6463
Ethyl mandelate
CID 13050
(+-)-Cyclohexylphenylglycolic acid
CID 97700
Atrolactic acid
CID 1303
Methyl benzilate
CID 66159
(S)-Atrolactic acid
CID 445144
(+-)-Methyl mandelate
CID 78066
Flurenol-butyl
CID 40816
Ethanaminium, 2-((2-hydroxy-2,2-diphenylacetyl)oxy)-N,N,N-trimethyl-, iodide (1:1)
CID 71518

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate (CID 138979288) is ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate is CCOC(=O)[C@](O)(c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate?
The InChIKey is BHPANDCPDPZVLX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-2-21-15(19)16(20,11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)18/h3-10,20H,2H2,1H3/t16-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate?
ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate has a molecular weight of 292.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 138979288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).