ethyl 2-fluoro-2-(2-formylphenoxy)acetate

C11H11FO4 — CID 146450641

IUPACethyl 2-fluoro-2-(2-formylphenoxy)acetate
SMILESCCOC(=O)C(F)Oc1ccccc1C=O
InChIInChI=1S/C11H11FO4/c1-2-15-11(14)10(12)16-9-6-4-3-5-8(9)7-13/h3-7,10H,2H2,1H3
InChIKeyVNRCIUZELYIWQQ-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.74
Rot. Bonds5

About ethyl 2-fluoro-2-(2-formylphenoxy)acetate

ethyl 2-fluoro-2-(2-formylphenoxy)acetate (PubChem CID 146450641) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-formylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-formylphenoxy)acetate
PubChem CID146450641
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Nameethyl 2-fluoro-2-(2-formylphenoxy)acetate
SMILESCCOC(=O)C(F)Oc1ccccc1C=O
InChIInChI=1S/C11H11FO4/c1-2-15-11(14)10(12)16-9-6-4-3-5-8(9)7-13/h3-7,10H,2H2,1H3
InChIKeyVNRCIUZELYIWQQ-UHFFFAOYSA-N
XLogP1.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-formylphenoxy)-2-phenylacetate
CID 15741875
ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate
CID 107711553
2-(2-formylphenoxy)butanamide
CID 62900622
ethyl 2-(3-chloro-2-fluorophenoxy)-2-fluoroacetate
CID 116688472
ethyl (2-formylphenoxy)methyl carbonate
CID 87319171
ethyl (2R)-2-(3-formyl-2-methoxyphenoxy)propanoate
CID 95239892
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate
CID 79361865
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
ethyl 2-fluoro-2-(4-nitronaphthalen-1-yl)oxyacetate
CID 79356668
ethyl (E)-4-(2-formylphenoxy)-2-methylbut-2-enoate
CID 102349287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-formylphenoxy)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-formylphenoxy)acetate (CID 146450641) is ethyl 2-fluoro-2-(2-formylphenoxy)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-formylphenoxy)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-formylphenoxy)acetate is CCOC(=O)C(F)Oc1ccccc1C=O.
What is the InChIKey of ethyl 2-fluoro-2-(2-formylphenoxy)acetate?
The InChIKey is VNRCIUZELYIWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-2-15-11(14)10(12)16-9-6-4-3-5-8(9)7-13/h3-7,10H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(2-formylphenoxy)acetate?
ethyl 2-fluoro-2-(2-formylphenoxy)acetate has a molecular weight of 226.20 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-formylphenoxy)acetate is sourced from PubChem (CID 146450641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).