1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone

C12H14F2O3 — CID 54936394

IUPAC1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone
SMILESCOCCCOCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2O3/c1-16-5-2-6-17-8-12(15)10-4-3-9(13)7-11(10)14/h3-4,7H,2,5-6,8H2,1H3
InChIKeyDYUKNQIDKMNHHN-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.20
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone

1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone (PubChem CID 54936394) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone
PubChem CID54936394
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone
SMILESCOCCCOCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2O3/c1-16-5-2-6-17-8-12(15)10-4-3-9(13)7-11(10)14/h3-4,7H,2,5-6,8H2,1H3
InChIKeyDYUKNQIDKMNHHN-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.20
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-(2-methoxyethoxy)ethanone
CID 43798986
1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649
1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone
CID 10822582
1-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)ethanone
CID 43798375
1-(2,4-difluorophenyl)-2-(4,4,4-trifluorobutoxy)ethanone
CID 82789308
1-(2,4-difluorophenyl)-2-(3-methylbutoxy)ethanone
CID 43798523
1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178840
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
2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 106698537

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone (CID 54936394) is 1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone is COCCCOCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone?
The InChIKey is DYUKNQIDKMNHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-16-5-2-6-17-8-12(15)10-4-3-9(13)7-11(10)14/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone?
1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone has a molecular weight of 244.24 g/mol, XLogP of 2.20, 7 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-(3-methoxypropoxy)ethanone is sourced from PubChem (CID 54936394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).