ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate

C14H18F2O4 — CID 62397772

IUPACethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
SMILESCCOC(=O)C(F)(F)C(C)(O)c1ccccc1OCC
InChIInChI=1S/C14H18F2O4/c1-4-19-11-9-7-6-8-10(11)13(3,18)14(15,16)12(17)20-5-2/h6-9,18H,4-5H2,1-3H3
InChIKeyOCPAWOWBLQMDEG-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.49
Rot. Bonds6

About ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate

ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate (PubChem CID 62397772) has the molecular formula C14H18F2O4 and a molecular weight of 288.29 g/mol. Its IUPAC name is ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
PubChem CID62397772
Molecular FormulaC14H18F2O4
Molecular Weight288.29 g/mol
Exact Mass288.12
IUPAC Nameethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
SMILESCCOC(=O)C(F)(F)C(C)(O)c1ccccc1OCC
InChIInChI=1S/C14H18F2O4/c1-4-19-11-9-7-6-8-10(11)13(3,18)14(15,16)12(17)20-5-2/h6-9,18H,4-5H2,1-3H3
InChIKeyOCPAWOWBLQMDEG-UHFFFAOYSA-N
XLogP2.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
4-(2-ethoxyphenyl)-4-methylpentan-2-one
CID 64717616
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62396996
ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
CID 83039272
ethyl 3-(2,4-dichlorophenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62399185
ethyl 2,2-difluoro-3-hydroxy-3-(3-methylphenyl)butanoate
CID 55071366
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
ethyl 2,2-difluoro-3-hydroxy-3-pyridin-4-ylbutanoate
CID 62397575

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate?
The IUPAC name of ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate (CID 62397772) is ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate.
What is the SMILES notation for ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate?
The canonical SMILES for ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate is CCOC(=O)C(F)(F)C(C)(O)c1ccccc1OCC.
What is the InChIKey of ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate?
The InChIKey is OCPAWOWBLQMDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O4/c1-4-19-11-9-7-6-8-10(11)13(3,18)14(15,16)12(17)20-5-2/h6-9,18H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate?
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate has a molecular weight of 288.29 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate is sourced from PubChem (CID 62397772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).