1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C12H14F2O2 — CID 105101809

IUPAC1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H14F2O2/c1-12(2,3)16-7-10(15)8-5-4-6-9(13)11(8)14/h4-6H,7H2,1-3H3
InChIKeyFWYKZCZPNWAVSO-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.96
Rot. Bonds3

About 1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 105101809) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID105101809
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H14F2O2/c1-12(2,3)16-7-10(15)8-5-4-6-9(13)11(8)14/h4-6H,7H2,1-3H3
InChIKeyFWYKZCZPNWAVSO-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
1-(2,3-difluorophenyl)-3-ethylpentan-1-one
CID 115795198
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
1-(2,3-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 63989422
1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105122134
4-(2-aminoethyl)-1-(2,3-difluorophenyl)-5,5-dimethylhexan-1-one
CID 116578395
1-(2,3-difluorophenyl)but-3-en-1-one
CID 116659426
ethyl 2,3-difluorobenzoate
CID 2761174
2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
CID 68606169
N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604909
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
[1-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010050

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 105101809) is 1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone is CC(C)(C)OCC(=O)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is FWYKZCZPNWAVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-12(2,3)16-7-10(15)8-5-4-6-9(13)11(8)14/h4-6H,7H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 228.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 105101809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).