1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone

C17H16F2O2 — CID 61218583

IUPAC1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone
SMILESCc1cc(C)c(OCC(=O)c2c(F)cccc2F)c(C)c1
InChIInChI=1S/C17H16F2O2/c1-10-7-11(2)17(12(3)8-10)21-9-15(20)16-13(18)5-4-6-14(16)19/h4-8H,9H2,1-3H3
InChIKeyYVINEZUKYXELJG-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.15
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone

1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone (PubChem CID 61218583) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone
PubChem CID61218583
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone
SMILESCc1cc(C)c(OCC(=O)c2c(F)cccc2F)c(C)c1
InChIInChI=1S/C17H16F2O2/c1-10-7-11(2)17(12(3)8-10)21-9-15(20)16-13(18)5-4-6-14(16)19/h4-8H,9H2,1-3H3
InChIKeyYVINEZUKYXELJG-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone
CID 83140068
1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 63566170
2-(3-fluorophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43413394
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 112789802
2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
2-(2,6-difluoro-4-methylphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 118400365
2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
CID 107014119
1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612545
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 56580441
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone (CID 61218583) is 1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone is Cc1cc(C)c(OCC(=O)c2c(F)cccc2F)c(C)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone?
The InChIKey is YVINEZUKYXELJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-10-7-11(2)17(12(3)8-10)21-9-15(20)16-13(18)5-4-6-14(16)19/h4-8H,9H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone?
1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone has a molecular weight of 290.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone is sourced from PubChem (CID 61218583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).