2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one

C8H14F3NO — CID 162569690

IUPAC2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one
SMILESCCC(=O)C(C)(C)NCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-4-6(13)7(2,3)12-5-8(9,10)11/h12H,4-5H2,1-3H3
InChIKeyOUWCIINVFYARKL-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one

2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one (PubChem CID 162569690) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one
PubChem CID162569690
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one
SMILESCCC(=O)C(C)(C)NCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-4-6(13)7(2,3)12-5-8(9,10)11/h12H,4-5H2,1-3H3
InChIKeyOUWCIINVFYARKL-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-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 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one (CID 162569690) is 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one is CCC(=O)C(C)(C)NCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one?
The InChIKey is OUWCIINVFYARKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-4-6(13)7(2,3)12-5-8(9,10)11/h12H,4-5H2,1-3H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one?
2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one has a molecular weight of 197.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethylamino)pentan-3-one is sourced from PubChem (CID 162569690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).