ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate

C14H18F2O3 — CID 79299005

IUPACethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
SMILESCCOC(=O)C(O)(CC)C(C)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2O3/c1-4-14(18,13(17)19-5-2)9(3)11-7-6-10(15)8-12(11)16/h6-9,18H,4-5H2,1-3H3
InChIKeyDJMYSKYXERHNCV-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.77
Rot. Bonds5

About ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate

ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate (PubChem CID 79299005) has the molecular formula C14H18F2O3 and a molecular weight of 272.29 g/mol. Its IUPAC name is ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
PubChem CID79299005
Molecular FormulaC14H18F2O3
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Nameethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
SMILESCCOC(=O)C(O)(CC)C(C)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2O3/c1-4-14(18,13(17)19-5-2)9(3)11-7-6-10(15)8-12(11)16/h6-9,18H,4-5H2,1-3H3
InChIKeyDJMYSKYXERHNCV-UHFFFAOYSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299548
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
CID 79298581
ethyl 2-(2,4-difluorophenyl)-2,3-dimethylbutanoate
CID 117047913
ethyl 2-chloro-2-(2,4-difluorophenyl)acetate
CID 62224736
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
ethyl 2-(2,4-difluorophenyl)-3-oxopropanoate
CID 21200441
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
CID 55071402
ethyl 3-(4-bromo-2-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62399012
ethyl 3-(2-bromo-4-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 114060842
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid
CID 79303258

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate?
The IUPAC name of ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate (CID 79299005) is ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate.
What is the SMILES notation for ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate?
The canonical SMILES for ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate is CCOC(=O)C(O)(CC)C(C)c1ccc(F)cc1F.
What is the InChIKey of ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate?
The InChIKey is DJMYSKYXERHNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O3/c1-4-14(18,13(17)19-5-2)9(3)11-7-6-10(15)8-12(11)16/h6-9,18H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate?
ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate has a molecular weight of 272.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate is sourced from PubChem (CID 79299005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).