1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one

C15H20F2O3 — CID 115942341

IUPAC1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
SMILESCC(OCCOC(C)(C)C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2O3/c1-10(19-7-8-20-15(2,3)4)14(18)11-5-6-12(16)13(17)9-11/h5-6,9-10H,7-8H2,1-4H3
InChIKeyLMMGYBRVUKZIMX-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.37
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one

1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one (PubChem CID 115942341) has the molecular formula C15H20F2O3 and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
PubChem CID115942341
Molecular FormulaC15H20F2O3
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
SMILESCC(OCCOC(C)(C)C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2O3/c1-10(19-7-8-20-15(2,3)4)14(18)11-5-6-12(16)13(17)9-11/h5-6,9-10H,7-8H2,1-4H3
InChIKeyLMMGYBRVUKZIMX-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.37
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-(3,4-difluorophenyl)-2-hexoxypropan-1-one
CID 43800697
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
CID 112588356
1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 62030770
2-butan-2-ylsulfinyl-1-(3,4-difluorophenyl)propan-1-one
CID 64640863
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708727
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
2-(aminomethyl)-1-(3,4-difluorophenyl)-3-methylbutan-1-one
CID 116573820
1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798954
1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one
CID 103489321
1-(3,4-difluorophenyl)-2-[ethyl(propyl)amino]propan-1-one
CID 43795368
1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one (CID 115942341) is 1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one is CC(OCCOC(C)(C)C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one?
The InChIKey is LMMGYBRVUKZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O3/c1-10(19-7-8-20-15(2,3)4)14(18)11-5-6-12(16)13(17)9-11/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one?
1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one has a molecular weight of 286.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one is sourced from PubChem (CID 115942341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).