N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide

C9H15F3N2O2 — CID 110479366

IUPACN-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide
SMILESCN(C)CCN(C)C(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-13(2)4-5-14(3)8(16)6-7(15)9(10,11)12/h4-6H2,1-3H3
InChIKeyUAZSUDXFSQZPGD-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.53
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide

N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide (PubChem CID 110479366) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide
PubChem CID110479366
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide
SMILESCN(C)CCN(C)C(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-13(2)4-5-14(3)8(16)6-7(15)9(10,11)12/h4-6H2,1-3H3
InChIKeyUAZSUDXFSQZPGD-UHFFFAOYSA-N
XLogP0.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide (CID 110479366) is N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide is CN(C)CCN(C)C(=O)CC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide?
The InChIKey is UAZSUDXFSQZPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-13(2)4-5-14(3)8(16)6-7(15)9(10,11)12/h4-6H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide?
N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide has a molecular weight of 240.22 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide is sourced from PubChem (CID 110479366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).