2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide

C5H9F3N2O — CID 24696392

IUPAC2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-9-2-4(11)10-3-5(6,7)8/h9H,2-3H2,1H3,(H,10,11)
InChIKeyFJJRKSLJBACRHQ-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.12
Rot. Bonds3

About 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 24696392) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID24696392
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-9-2-4(11)10-3-5(6,7)8/h9H,2-3H2,1H3,(H,10,11)
InChIKeyFJJRKSLJBACRHQ-UHFFFAOYSA-N
XLogP-0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 24696392) is 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide is CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FJJRKSLJBACRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-9-2-4(11)10-3-5(6,7)8/h9H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 170.13 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 24696392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).