1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone

C11H12F2O3 — CID 43798986

IUPAC1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O3/c1-15-4-5-16-7-11(14)9-3-2-8(12)6-10(9)13/h2-3,6H,4-5,7H2,1H3
InChIKeyUAOBAPQVGJZLKH-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.81
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone

1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone (PubChem CID 43798986) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
PubChem CID43798986
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O3/c1-15-4-5-16-7-11(14)9-3-2-8(12)6-10(9)13/h2-3,6H,4-5,7H2,1H3
InChIKeyUAOBAPQVGJZLKH-UHFFFAOYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone
CID 54936394
1-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)ethanone
CID 43798375
1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone
CID 10822582
1-(2,4-difluorophenyl)-2-(3-methylbutoxy)ethanone
CID 43798523
1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649
1-(2,4-difluorophenyl)-2-(4,4,4-trifluorobutoxy)ethanone
CID 82789308
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
CID 116590821
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103610141
4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 43358600

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone (CID 43798986) is 1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone?
The InChIKey is UAOBAPQVGJZLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-15-4-5-16-7-11(14)9-3-2-8(12)6-10(9)13/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone?
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone has a molecular weight of 230.21 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 43798986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).