2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone

C12H14F2O2 — CID 82006063

IUPAC2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COCC(F)F)c(C)c1
InChIInChI=1S/C12H14F2O2/c1-8-3-4-10(9(2)5-8)11(15)6-16-7-12(13)14/h3-5,12H,6-7H2,1-2H3
InChIKeyFCMULFCDCOBZPT-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.77
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone

2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 82006063) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone
PubChem CID82006063
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COCC(F)F)c(C)c1
InChIInChI=1S/C12H14F2O2/c1-8-3-4-10(9(2)5-8)11(15)6-16-7-12(13)14/h3-5,12H,6-7H2,1-2H3
InChIKeyFCMULFCDCOBZPT-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
1-(2,4-dimethylphenyl)-2-(3,3,3-trifluoropropoxy)ethanone
CID 82956283
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936552
2-but-3-enoxy-1-(2,4-dimethylphenyl)ethanone
CID 62031383
1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029059
2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 106203148
2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone
CID 65125946
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone
CID 82006425
1-(2,4-dimethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778164
1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412068
1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
CID 2462834

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone (CID 82006063) is 2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)COCC(F)F)c(C)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is FCMULFCDCOBZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-8-3-4-10(9(2)5-8)11(15)6-16-7-12(13)14/h3-5,12H,6-7H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone?
2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 228.24 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 82006063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).