2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one

C10H10F3NO — CID 130598156

IUPAC2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one
SMILESCNC(C)C(=O)c1cc(F)cc(F)c1F
InChIInChI=1S/C10H10F3NO/c1-5(14-2)10(15)7-3-6(11)4-8(12)9(7)13/h3-5,14H,1-2H3
InChIKeyXXSMLBMZONJASF-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.89
Rot. Bonds3

About 2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one

2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one (PubChem CID 130598156) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one
PubChem CID130598156
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one
SMILESCNC(C)C(=O)c1cc(F)cc(F)c1F
InChIInChI=1S/C10H10F3NO/c1-5(14-2)10(15)7-3-6(11)4-8(12)9(7)13/h3-5,14H,1-2H3
InChIKeyXXSMLBMZONJASF-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(methylamino)-1-(2,3,5-trifluorophenyl)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

2,3,5-trifluoro-N-methylbenzamide
CID 58656809
1-(2,5-difluorophenyl)-3-(methylamino)butan-2-one
CID 116564926
3,5-difluoro-N,2-dimethylbenzamide
CID 67627187
2-(methylamino)-1-(2-methylphenyl)propan-1-one
CID 56603536
2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide
CID 82112280
2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid
CID 62810259
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
3-(2,3,5-trifluoroanilino)butanoic acid
CID 62810258
1-(5-fluoro-2-methylphenyl)-3-(methylamino)butan-2-one
CID 105376561

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one?
The IUPAC name of 2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one (CID 130598156) is 2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one.
What is the SMILES notation for 2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one?
The canonical SMILES for 2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one is CNC(C)C(=O)c1cc(F)cc(F)c1F.
What is the InChIKey of 2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one?
The InChIKey is XXSMLBMZONJASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-5(14-2)10(15)7-3-6(11)4-8(12)9(7)13/h3-5,14H,1-2H3.
What are the key properties of 2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one?
2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one has a molecular weight of 217.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one is sourced from PubChem (CID 130598156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).