N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide

C7H11F3N2O2 — CID 108537685

IUPACN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-2-5(13)11-3-4-12-6(14)7(8,9)10/h2-4H2,1H3,(H,11,13)(H,12,14)
InChIKeyFYYMNOMGNCJXQY-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.19
Rot. Bonds4

About N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide

N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide (PubChem CID 108537685) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
PubChem CID108537685
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-2-5(13)11-3-4-12-6(14)7(8,9)10/h2-4H2,1H3,(H,11,13)(H,12,14)
InChIKeyFYYMNOMGNCJXQY-UHFFFAOYSA-N
XLogP0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
N-Butyltrifluoroacetamide
CID 283366
2,2,2-Trifluoro-n-propylacetamide
CID 580996
N-(2-aminoethyl)-2,2,2-trifluoroacetamide
CID 229755
N-(2-Aminoethyl)propanamide
CID 4551317
3,3,3-Trifluoro-1-(piperazin-1-yl)propan-1-one
CID 16777605
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl]butanamide
CID 350051
N,N'-(Propane-1,2-diyl)bis(2,2,3,3,4,4,4-heptafluorobutanamide)
CID 4147050
2,2,2-trifluoro-N-{2-[(trifluoroacetyl)amino]ethyl}acetamide
CID 229756
1,2-Diaminoethane, N,N'-bis(pentafluoropropionyl)
CID 600476
3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 5123923

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide?
The IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide (CID 108537685) is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide?
The canonical SMILES for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide is CCC(=O)NCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide?
The InChIKey is FYYMNOMGNCJXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-2-5(13)11-3-4-12-6(14)7(8,9)10/h2-4H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide?
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide has a molecular weight of 212.17 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide is sourced from PubChem (CID 108537685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).