ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate

C12H14F2O3 — CID 117362052

IUPACethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(F)c1C(C)F
InChIInChI=1S/C12H14F2O3/c1-3-17-12(16)11(15)8-5-4-6-9(14)10(8)7(2)13/h4-7,11,15H,3H2,1-2H3
InChIKeyFBLQVENNORHKBZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.45
Rot. Bonds4

About ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate

ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate (PubChem CID 117362052) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate
PubChem CID117362052
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(F)c1C(C)F
InChIInChI=1S/C12H14F2O3/c1-3-17-12(16)11(15)8-5-4-6-9(14)10(8)7(2)13/h4-7,11,15H,3H2,1-2H3
InChIKeyFBLQVENNORHKBZ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
CID 117416044
1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol
CID 84660540
ethyl 2-[(2,6-difluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62398794
ethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398911
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
CID 117289376
diethyl 2-(2,3-difluorophenyl)propanedioate
CID 63990453
ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate
CID 54960329
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117353289

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate (CID 117362052) is ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cccc(F)c1C(C)F.
What is the InChIKey of ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate?
The InChIKey is FBLQVENNORHKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-3-17-12(16)11(15)8-5-4-6-9(14)10(8)7(2)13/h4-7,11,15H,3H2,1-2H3.
What are the key properties of ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate has a molecular weight of 244.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117362052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).