1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone

C10H11FO3 — CID 22363866

IUPAC1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C10H11FO3/c1-7(12)9-4-3-8(5-10(9)11)14-6-13-2/h3-5H,6H2,1-2H3
InChIKeyFQWSZVQHCRUZHP-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone

1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone (PubChem CID 22363866) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
PubChem CID22363866
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C10H11FO3/c1-7(12)9-4-3-8(5-10(9)11)14-6-13-2/h3-5H,6H2,1-2H3
InChIKeyFQWSZVQHCRUZHP-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-acetyl-3-fluorophenoxy)methyl-trifluoroboranuide
CID 107719077
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
5-(4-acetyl-3-fluorophenoxy)pentan-2-one
CID 107717486
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
CID 103907370
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
1-[4-[2-(chloromethyl)prop-2-enoxy]-2-fluorophenyl]ethanone
CID 107715578
1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863374
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
1-[2-fluoro-4-(2-hydroxy-2,3-dimethylbutoxy)phenyl]ethanone
CID 104922117
disodium;4-(methoxymethoxy)phthalate
CID 131725674
3-(4-acetyl-3-fluorophenoxy)butan-2-one
CID 107717446

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone (CID 22363866) is 1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone is COCOc1ccc(C(C)=O)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone?
The InChIKey is FQWSZVQHCRUZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-7(12)9-4-3-8(5-10(9)11)14-6-13-2/h3-5H,6H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone?
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone has a molecular weight of 198.19 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone is sourced from PubChem (CID 22363866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).