2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C6H9F3N2O2 — CID 64992247

IUPAC2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-11(4-12)2-5(13)10-3-6(7,8)9/h4H,2-3H2,1H3,(H,10,13)
InChIKeyRYFCUZAKAMRLSW-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.25
Rot. Bonds4

About 2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 64992247) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID64992247
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-11(4-12)2-5(13)10-3-6(7,8)9/h4H,2-3H2,1H3,(H,10,13)
InChIKeyRYFCUZAKAMRLSW-UHFFFAOYSA-N
XLogP-0.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 64992247) is 2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(C=O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RYFCUZAKAMRLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c1-11(4-12)2-5(13)10-3-6(7,8)9/h4H,2-3H2,1H3,(H,10,13).
What are the key properties of 2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 198.14 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 64992247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).