2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone

C9H6F4O — CID 62961335

IUPAC2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)C(F)(F)F)c1
InChIInChI=1S/C9H6F4O/c1-5-2-3-7(10)6(4-5)8(14)9(11,12)13/h2-4H,1H3
InChIKeyGWSOPFCFGOJPRE-UHFFFAOYSA-N
MW206.14 g/mol
LogP2.88
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone

2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone (PubChem CID 62961335) has the molecular formula C9H6F4O and a molecular weight of 206.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
PubChem CID62961335
Molecular FormulaC9H6F4O
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Name2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)C(F)(F)F)c1
InChIInChI=1S/C9H6F4O/c1-5-2-3-7(10)6(4-5)8(14)9(11,12)13/h2-4H,1H3
InChIKeyGWSOPFCFGOJPRE-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
CID 79052290
4-methyl-2-(2,2,2-trifluoroacetyl)benzenesulfonic acid
CID 57005153
2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one
CID 116710090
ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
N-acetyl-2-fluoro-5-methylbenzamide
CID 62511698
2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one
CID 116747123
1-(2-fluoro-5-methylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456342
2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 103895431
2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724689
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
2-fluoro-5-methylbenzoyl cyanide
CID 83808210

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone (CID 62961335) is 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone is Cc1ccc(F)c(C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone?
The InChIKey is GWSOPFCFGOJPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O/c1-5-2-3-7(10)6(4-5)8(14)9(11,12)13/h2-4H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone?
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone has a molecular weight of 206.14 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone is sourced from PubChem (CID 62961335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).