2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone

C11H12F3NO2 — CID 79018019

IUPAC2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
SMILESCN(C)CC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-15(2)7-9(16)8-5-3-4-6-10(8)17-11(12,13)14/h3-6H,7H2,1-2H3
InChIKeyWYQIBNSWEVSZQW-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.33
Rot. Bonds4

About 2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone

2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone (PubChem CID 79018019) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
PubChem CID79018019
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
SMILESCN(C)CC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-15(2)7-9(16)8-5-3-4-6-10(8)17-11(12,13)14/h3-6H,7H2,1-2H3
InChIKeyWYQIBNSWEVSZQW-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-one
CID 65094401
2-(trifluoromethoxy)benzoate
CID 6933714
methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate
CID 162353946
3-(propan-2-ylamino)-1-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 116556380
2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 114970289
3-(aminomethyl)-1-[2-(trifluoromethoxy)phenyl]pentan-1-one
CID 116596193
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159
(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 104799403
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
2-methoxy-3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]butan-1-one
CID 116709655
3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 105094623

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone (CID 79018019) is 2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone is CN(C)CC(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is WYQIBNSWEVSZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-15(2)7-9(16)8-5-3-4-6-10(8)17-11(12,13)14/h3-6H,7H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone?
2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 247.22 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 79018019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).