N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide

C6H9F3N2O2 — CID 62733545

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide
SMILESCN(C)C(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-11(2)4(12)3-10-5(13)6(7,8)9/h3H2,1-2H3,(H,10,13)
InChIKeyVPZMDKIMSQTLDP-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.25
Rot. Bonds2

About N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide

N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide (PubChem CID 62733545) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide
PubChem CID62733545
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide
SMILESCN(C)C(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-11(2)4(12)3-10-5(13)6(7,8)9/h3H2,1-2H3,(H,10,13)
InChIKeyVPZMDKIMSQTLDP-UHFFFAOYSA-N
XLogP-0.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide 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 N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide (CID 62733545) is N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide is CN(C)C(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide?
The InChIKey is VPZMDKIMSQTLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c1-11(2)4(12)3-10-5(13)6(7,8)9/h3H2,1-2H3,(H,10,13).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide has a molecular weight of 198.14 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62733545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).