2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide

C5H9F3N2O — CID 18187974

IUPAC2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide
SMILESCNC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-3(9-2)10-4(11)5(6,7)8/h3,9H,1-2H3,(H,10,11)
InChIKeyUUSDDWJPFHLIQX-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.23
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide

2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide (PubChem CID 18187974) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide
PubChem CID18187974
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide
SMILESCNC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-3(9-2)10-4(11)5(6,7)8/h3,9H,1-2H3,(H,10,11)
InChIKeyUUSDDWJPFHLIQX-UHFFFAOYSA-N
XLogP0.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide (CID 18187974) is 2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide is CNC(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide?
The InChIKey is UUSDDWJPFHLIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-3(9-2)10-4(11)5(6,7)8/h3,9H,1-2H3,(H,10,11).
What are the key properties of 2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide has a molecular weight of 170.13 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide is sourced from PubChem (CID 18187974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).