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

C12H14F2O3 — CID 55071402

IUPACethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2O3/c1-3-17-11(15)7-12(2,16)9-5-4-8(13)6-10(9)14/h4-6,16H,3,7H2,1-2H3
InChIKeyOSCJVHGHYJBFRU-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.13
Rot. Bonds4

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

ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate (PubChem CID 55071402) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
PubChem CID55071402
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Nameethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2O3/c1-3-17-11(15)7-12(2,16)9-5-4-8(13)6-10(9)14/h4-6,16H,3,7H2,1-2H3
InChIKeyOSCJVHGHYJBFRU-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-amino-3-(2,4-difluorophenyl)butanoate
CID 67025344
ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate
CID 65233544
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
ethyl 2-(2,4-difluorophenyl)-2,3-dimethylbutanoate
CID 117047913
ethyl (3S)-3-(3,4-difluorophenyl)-3-hydroxybutanoate
CID 94425144
ethyl 3-amino-3-(2-chloro-4-fluorophenyl)butanoate
CID 79849164
1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
[2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate
CID 15463463
ethyl (3S)-3-(3-bromo-4-fluorophenyl)-3-hydroxybutanoate
CID 94893895
ethyl 4-cyano-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049641
methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate
CID 66097553

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate?
The IUPAC name of ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate (CID 55071402) is ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate is CCOC(=O)CC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate?
The InChIKey is OSCJVHGHYJBFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-3-17-11(15)7-12(2,16)9-5-4-8(13)6-10(9)14/h4-6,16H,3,7H2,1-2H3.
What are the key properties of ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate?
ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate has a molecular weight of 244.24 g/mol, XLogP of 2.13, 4 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)-3-hydroxybutanoate is sourced from PubChem (CID 55071402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).