ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate

C11H13FO3 — CID 117302711

IUPACethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccccc1CF
InChIInChI=1S/C11H13FO3/c1-2-15-11(14)10(13)9-6-4-3-5-8(9)7-12/h3-6,10,13H,2,7H2,1H3
InChIKeyKIOHQQMJPWLQEP-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.75
Rot. Bonds4

About ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate

ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate (PubChem CID 117302711) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
PubChem CID117302711
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Nameethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccccc1CF
InChIInChI=1S/C11H13FO3/c1-2-15-11(14)10(13)9-6-4-3-5-8(9)7-12/h3-6,10,13H,2,7H2,1H3
InChIKeyKIOHQQMJPWLQEP-UHFFFAOYSA-N
XLogP1.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117287616
ethyl 2-hydroxy-2-(2-pentan-3-ylphenyl)acetate
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CID 117352981
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
ethyl 2-(2-cyanophenyl)-2-hydroxyacetate
CID 75251664
ethyl 2-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117433352
ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
ethyl 2-hydroxy-2-[2-(1,2,4-triazol-1-yl)phenyl]acetate
CID 117369882
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate (CID 117302711) is ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1ccccc1CF.
What is the InChIKey of ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate?
The InChIKey is KIOHQQMJPWLQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-2-15-11(14)10(13)9-6-4-3-5-8(9)7-12/h3-6,10,13H,2,7H2,1H3.
What are the key properties of ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate has a molecular weight of 212.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117302711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).