2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone

C11H11F4NO — CID 170896141

IUPAC2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
SMILESCN(C)CC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO/c1-16(2)6-10(17)7-3-8(11(13,14)15)5-9(12)4-7/h3-5H,6H2,1-2H3
InChIKeyBUQZRDDXSJUWGH-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.59
Rot. Bonds3

About 2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone

2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone (PubChem CID 170896141) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
PubChem CID170896141
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
SMILESCN(C)CC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO/c1-16(2)6-10(17)7-3-8(11(13,14)15)5-9(12)4-7/h3-5H,6H2,1-2H3
InChIKeyBUQZRDDXSJUWGH-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 130132466
3-[[3-fluoro-5-(trifluoromethyl)benzoyl]-methylamino]propanoic acid
CID 119362318
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 119657221
N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119661470
2,2-dichloro-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 146008732
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146008767
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 99850405
1-[3,5-bis(trifluoromethyl)phenyl]-2-iodoethanone
CID 22138000
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylsulfanylethanone
CID 141086013
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone (CID 170896141) is 2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone is CN(C)CC(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BUQZRDDXSJUWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c1-16(2)6-10(17)7-3-8(11(13,14)15)5-9(12)4-7/h3-5H,6H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone?
2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone has a molecular weight of 249.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 170896141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).