3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one

C15H20F3NO — CID 79052661

IUPAC3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one
SMILESCCC(C)(C(=O)Cc1cccc(C(F)(F)F)c1)N(C)C
InChIInChI=1S/C15H20F3NO/c1-5-14(2,19(3)4)13(20)10-11-7-6-8-12(9-11)15(16,17)18/h6-9H,5,10H2,1-4H3
InChIKeyFLEPACIQJIJOCL-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.55
Rot. Bonds5

About 3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one

3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one (PubChem CID 79052661) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one
PubChem CID79052661
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one
SMILESCCC(C)(C(=O)Cc1cccc(C(F)(F)F)c1)N(C)C
InChIInChI=1S/C15H20F3NO/c1-5-14(2,19(3)4)13(20)10-11-7-6-8-12(9-11)15(16,17)18/h6-9H,5,10H2,1-4H3
InChIKeyFLEPACIQJIJOCL-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one
CID 79062956
1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one
CID 107884029
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
N-[3-(hydroxymethyl)pentan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 62520655
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
3-(dimethylamino)-3-ethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 79058378

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one?
The IUPAC name of 3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one (CID 79052661) is 3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one?
The canonical SMILES for 3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one is CCC(C)(C(=O)Cc1cccc(C(F)(F)F)c1)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one?
The InChIKey is FLEPACIQJIJOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-5-14(2,19(3)4)13(20)10-11-7-6-8-12(9-11)15(16,17)18/h6-9H,5,10H2,1-4H3.
What are the key properties of 3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one?
3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one has a molecular weight of 287.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one is sourced from PubChem (CID 79052661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).