1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone

C11H13FO3 — CID 65369860

IUPAC1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone
SMILESCCOCOc1cc(F)ccc1C(C)=O
InChIInChI=1S/C11H13FO3/c1-3-14-7-15-11-6-9(12)4-5-10(11)8(2)13/h4-6H,3,7H2,1-2H3
InChIKeyFRYZNQJGSCKUJM-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.40
Rot. Bonds5

About 1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone

1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone (PubChem CID 65369860) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone
PubChem CID65369860
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone
SMILESCCOCOc1cc(F)ccc1C(C)=O
InChIInChI=1S/C11H13FO3/c1-3-14-7-15-11-6-9(12)4-5-10(11)8(2)13/h4-6H,3,7H2,1-2H3
InChIKeyFRYZNQJGSCKUJM-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-[2-(2-bromoethoxy)-4-fluorophenyl]ethanone
CID 63069077
1-[2-(2-chloroprop-2-enoxy)-4-fluorophenyl]ethanone
CID 63067319
1-[4-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371740
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
CID 63891646
1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
CID 63984894
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
4-amino-2-(ethoxymethoxy)benzamide
CID 106955437
1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
CID 63774355
2-(2-acetyl-5-fluorophenoxy)-N-(cyanomethyl)acetamide
CID 63066965
1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473
1-[2-[2-(3-bromophenoxy)ethoxy]-4-fluorophenyl]ethanone
CID 63069027

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone (CID 65369860) is 1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone is CCOCOc1cc(F)ccc1C(C)=O.
What is the InChIKey of 1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone?
The InChIKey is FRYZNQJGSCKUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-3-14-7-15-11-6-9(12)4-5-10(11)8(2)13/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone?
1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone has a molecular weight of 212.22 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone is sourced from PubChem (CID 65369860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).