3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one

C12H14F3NO — CID 11000484

IUPAC3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCN(C)CCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-16(2)7-6-11(17)9-4-3-5-10(8-9)12(13,14)15/h3-5,8H,6-7H2,1-2H3
InChIKeyXBPDAKZKYMDZJH-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.84
Rot. Bonds4

About 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one

3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 11000484) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
PubChem CID11000484
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCN(C)CCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-16(2)7-6-11(17)9-4-3-5-10(8-9)12(13,14)15/h3-5,8H,6-7H2,1-2H3
InChIKeyXBPDAKZKYMDZJH-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one
CID 73213853
3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627
3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725641
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726630
3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
CID 107288258
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
2-methylhexane;1-[3-(trifluoromethyl)phenyl]butan-1-one
CID 142809248
N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine
CID 135398356
3-[benzyl(1-naphthalen-1-ylethyl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 71134261
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one (CID 11000484) is 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one is CN(C)CCC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is XBPDAKZKYMDZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-16(2)7-6-11(17)9-4-3-5-10(8-9)12(13,14)15/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 245.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 11000484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).