1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one

C12H14F2O3 — CID 102927411

IUPAC1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one
SMILESCOCCOCCC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O3/c1-16-7-8-17-6-5-11(15)12-9(13)3-2-4-10(12)14/h2-4H,5-8H2,1H3
InChIKeyMHCOMAYHOVVKMU-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.20
Rot. Bonds7

About 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one

1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one (PubChem CID 102927411) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one
PubChem CID102927411
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one
SMILESCOCCOCCC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O3/c1-16-7-8-17-6-5-11(15)12-9(13)3-2-4-10(12)14/h2-4H,5-8H2,1H3
InChIKeyMHCOMAYHOVVKMU-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-chloro-6-fluorophenyl)-4-methoxybutan-1-one
CID 115815531
2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
CID 43800204
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927472
3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
CID 113236326
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
1-(2-fluorophenyl)-3-propoxypropan-1-one
CID 105085598
1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone
CID 57052661
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596
5-bromo-1-(2,6-difluorophenyl)pentan-1-one
CID 146010071
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one (CID 102927411) is 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one is COCCOCCC(=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one?
The InChIKey is MHCOMAYHOVVKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-16-7-8-17-6-5-11(15)12-9(13)3-2-4-10(12)14/h2-4H,5-8H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one?
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one 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-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one is sourced from PubChem (CID 102927411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).