1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one

C12H13F4NO — CID 107290953

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO/c1-11(2,17-3)10(18)7-4-5-9(13)8(6-7)12(14,15)16/h4-6,17H,1-3H3
InChIKeyDCNBFDRCLIUNQI-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.03
Rot. Bonds3

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one (PubChem CID 107290953) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one
PubChem CID107290953
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO/c1-11(2,17-3)10(18)7-4-5-9(13)8(6-7)12(14,15)16/h4-6,17H,1-3H3
InChIKeyDCNBFDRCLIUNQI-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)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

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 103895529
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-one
CID 115780906
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
CID 119524337
2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 107290933
2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 116566489
4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
CID 62045877
N-(1-bromo-2-methylbutan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 114314492
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 66649987

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one (CID 107290953) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is DCNBFDRCLIUNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-11(2,17-3)10(18)7-4-5-9(13)8(6-7)12(14,15)16/h4-6,17H,1-3H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 263.23 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 107290953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).