N,N-diacetamido-2,2,2-trifluoroacetamide

C6H8F3N3O3 — CID 139631705

IUPACN,N-diacetamido-2,2,2-trifluoroacetamide
SMILESCC(=O)NN(NC(C)=O)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3N3O3/c1-3(13)10-12(11-4(2)14)5(15)6(7,8)9/h1-2H3,(H,10,13)(H,11,14)
InChIKeyZWQJAKRKQZIWRY-UHFFFAOYSA-N
MW227.14 g/mol
LogP-0.52
Rot. Bonds

About N,N-diacetamido-2,2,2-trifluoroacetamide

N,N-diacetamido-2,2,2-trifluoroacetamide (PubChem CID 139631705) has the molecular formula C6H8F3N3O3 and a molecular weight of 227.14 g/mol. Its IUPAC name is N,N-diacetamido-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN,N-diacetamido-2,2,2-trifluoroacetamide
PubChem CID139631705
Molecular FormulaC6H8F3N3O3
Molecular Weight227.14 g/mol
Exact Mass227.05
IUPAC NameN,N-diacetamido-2,2,2-trifluoroacetamide
SMILESCC(=O)NN(NC(C)=O)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3N3O3/c1-3(13)10-12(11-4(2)14)5(15)6(7,8)9/h1-2H3,(H,10,13)(H,11,14)
InChIKeyZWQJAKRKQZIWRY-UHFFFAOYSA-N
XLogP-0.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diacetamido-2,2,2-trifluoroacetamide?
The IUPAC name of N,N-diacetamido-2,2,2-trifluoroacetamide (CID 139631705) is N,N-diacetamido-2,2,2-trifluoroacetamide.
What is the SMILES notation for N,N-diacetamido-2,2,2-trifluoroacetamide?
The canonical SMILES for N,N-diacetamido-2,2,2-trifluoroacetamide is CC(=O)NN(NC(C)=O)C(=O)C(F)(F)F.
What is the InChIKey of N,N-diacetamido-2,2,2-trifluoroacetamide?
The InChIKey is ZWQJAKRKQZIWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O3/c1-3(13)10-12(11-4(2)14)5(15)6(7,8)9/h1-2H3,(H,10,13)(H,11,14).
What are the key properties of N,N-diacetamido-2,2,2-trifluoroacetamide?
N,N-diacetamido-2,2,2-trifluoroacetamide has a molecular weight of 227.14 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diacetamido-2,2,2-trifluoroacetamide is sourced from PubChem (CID 139631705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).