1,1,1-trifluoro-3-(methylamino)propan-2-one

C4H6F3NO — CID 59614911

IUPAC1,1,1-trifluoro-3-(methylamino)propan-2-one
SMILESCNCC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-8-2-3(9)4(5,6)7/h8H,2H2,1H3
InChIKeyZZDXHMYTKRYSPR-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.34
Rot. Bonds2

About 1,1,1-trifluoro-3-(methylamino)propan-2-one

1,1,1-trifluoro-3-(methylamino)propan-2-one (PubChem CID 59614911) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(methylamino)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(methylamino)propan-2-one
PubChem CID59614911
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name1,1,1-trifluoro-3-(methylamino)propan-2-one
SMILESCNCC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-8-2-3(9)4(5,6)7/h8H,2H2,1H3
InChIKeyZZDXHMYTKRYSPR-UHFFFAOYSA-N
XLogP0.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-3-(methylamino)propan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(methylamino)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(methylamino)propan-2-one (CID 59614911) is 1,1,1-trifluoro-3-(methylamino)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(methylamino)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(methylamino)propan-2-one is CNCC(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(methylamino)propan-2-one?
The InChIKey is ZZDXHMYTKRYSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-8-2-3(9)4(5,6)7/h8H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(methylamino)propan-2-one?
1,1,1-trifluoro-3-(methylamino)propan-2-one has a molecular weight of 141.09 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(methylamino)propan-2-one is sourced from PubChem (CID 59614911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).