ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate

C12H15FO4 — CID 107711553

IUPACethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate
SMILESCCOC(=O)C(F)Oc1ccccc1CCO
InChIInChI=1S/C12H15FO4/c1-2-16-12(15)11(13)17-10-6-4-3-5-9(10)7-8-14/h3-6,11,14H,2,7-8H2,1H3
InChIKeySFWVRLKXUUYFEX-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.46
Rot. Bonds6

About ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate

ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate (PubChem CID 107711553) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate
PubChem CID107711553
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Nameethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate
SMILESCCOC(=O)C(F)Oc1ccccc1CCO
InChIInChI=1S/C12H15FO4/c1-2-16-12(15)11(13)17-10-6-4-3-5-9(10)7-8-14/h3-6,11,14H,2,7-8H2,1H3
InChIKeySFWVRLKXUUYFEX-UHFFFAOYSA-N
XLogP1.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
ethyl 2-fluoro-2-(2-formylphenoxy)acetate
CID 146450641
2-[2-(2-hydroxyethyl)phenoxy]pentanehydrazide
CID 107714182
diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate
CID 139661476
ethyl 2-(3-chloro-2-fluorophenoxy)-2-fluoroacetate
CID 116688472
(3S)-3-[2-(2-hydroxyethyl)phenoxy]butanoic acid
CID 107711645
ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate
CID 171866052
ethyl 2-fluoro-2-(4-nitronaphthalen-1-yl)oxyacetate
CID 79356668
ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate
CID 79361865
ethyl 2-[2-(bromomethyl)phenoxy]propanoate
CID 11808300
2-[2-(1-phenylethoxy)phenyl]ethanol
CID 107713134
ethyl 4-[2-(2-hydroxyethyl)phenoxy]-2,2-dimethyl-3-oxobutanoate
CID 107712930

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate?
The IUPAC name of ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate (CID 107711553) is ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate is CCOC(=O)C(F)Oc1ccccc1CCO.
What is the InChIKey of ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate?
The InChIKey is SFWVRLKXUUYFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-2-16-12(15)11(13)17-10-6-4-3-5-9(10)7-8-14/h3-6,11,14H,2,7-8H2,1H3.
What are the key properties of ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate?
ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate has a molecular weight of 242.25 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate is sourced from PubChem (CID 107711553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).